(3'R,4'S,8'S)-8'-(methoxymethoxymethyl)-3',4',8'-trimethyl-4'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]spiro[1,3-dioxolane-2,6'-2,3,5,7-tetrahydro-1H-naphthalene]

C24H40O6 — CID 101225993

IUPAC(3'R,4'S,8'S)-8'-(methoxymethoxymethyl)-3',4',8'-trimethyl-4'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]spiro[1,3-dioxolane-2,6'-2,3,5,7-tetrahydro-1H-naphthalene]
SMILESCOCOC[C@@]1(C)CC2(CC3=C1CC[C@@H](C)[C@]3(C)CCC1(C)OCCO1)OCCO2
InChIInChI=1S/C24H40O6/c1-18-6-7-19-20(22(18,3)8-9-23(4)27-10-11-28-23)14-24(29-12-13-30-24)15-21(19,2)16-26-17-25-5/h18H,6-17H2,1-5H3/t18-,21-,22+/m1/s1
InChIKeyMDKWDHWWQKPIFY-QIJUGHKUSA-N
MW424.58 g/mol
LogP4.43
Rot. Bonds7

About (3'R,4'S,8'S)-8'-(methoxymethoxymethyl)-3',4',8'-trimethyl-4'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]spiro[1,3-dioxolane-2,6'-2,3,5,7-tetrahydro-1H-naphthalene]

(3'R,4'S,8'S)-8'-(methoxymethoxymethyl)-3',4',8'-trimethyl-4'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]spiro[1,3-dioxolane-2,6'-2,3,5,7-tetrahydro-1H-naphthalene] (PubChem CID 101225993) has the molecular formula C24H40O6 and a molecular weight of 424.58 g/mol. Its IUPAC name is (3'R,4'S,8'S)-8'-(methoxymethoxymethyl)-3',4',8'-trimethyl-4'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]spiro[1,3-dioxolane-2,6'-2,3,5,7-tetrahydro-1H-naphthalene].

Molecular Properties

Compound Name(3'R,4'S,8'S)-8'-(methoxymethoxymethyl)-3',4',8'-trimethyl-4'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]spiro[1,3-dioxolane-2,6'-2,3,5,7-tetrahydro-1H-naphthalene]
PubChem CID101225993
Molecular FormulaC24H40O6
Molecular Weight424.58 g/mol
Exact Mass424.28
IUPAC Name(3'R,4'S,8'S)-8'-(methoxymethoxymethyl)-3',4',8'-trimethyl-4'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]spiro[1,3-dioxolane-2,6'-2,3,5,7-tetrahydro-1H-naphthalene]
SMILESCOCOC[C@@]1(C)CC2(CC3=C1CC[C@@H](C)[C@]3(C)CCC1(C)OCCO1)OCCO2
InChIInChI=1S/C24H40O6/c1-18-6-7-19-20(22(18,3)8-9-23(4)27-10-11-28-23)14-24(29-12-13-30-24)15-21(19,2)16-26-17-25-5/h18H,6-17H2,1-5H3/t18-,21-,22+/m1/s1
InChIKeyMDKWDHWWQKPIFY-QIJUGHKUSA-N
XLogP4.43
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.58
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3'R,4'S,8'S)-8'-(methoxymethoxymethyl)-3',4',8'-trimethyl-4'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]spiro[1,3-dioxolane-2,6'-2,3,5,7-tetrahydro-1H-naphthalene] with MolForge

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Related Compounds

8-(1-cyclopropylideneethyl)-8-(methoxymethoxymethyl)-1,4-dioxaspiro[4.5]decane
CID 11033330
2-[2-[(1S,2R,4aR)-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]ethyl]-2-methyl-1,3-dioxolane
CID 11587586
2-[8-(methoxymethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-yl]-2-methylcyclobutan-1-one
CID 10968537
8-hydroxy-7,11,11-trimethyl-7-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,4-dioxaspiro[4.7]dodecan-9-one
CID 10338350
(1'S,2'S,5'S)-1'-[2-(methoxymethoxy)ethyl]-2'-methylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]octane]-6'-one
CID 11471632
trans-(2S,3S)-3-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cycloheptan-1-one
CID 131844605
2-(methoxymethoxymethyl)cyclopentane-1,3-dione
CID 23560436
(2S,3S)-3-ethyl-2-(methoxymethoxymethyl)-2-methyloxirane
CID 10241087
trimethyl-[4-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclohexen-1-yl]oxysilane
CID 74955942
3,5-dimethoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide
CID 110359281
[(7'R,8'R,9'S,13'S,14'S,17'S)-17'-(methoxymethoxy)-13'-methylspiro[1,3-dioxolane-2,3'-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene]-7'-yl]methanol
CID 16744993
(7'R,8'R,9'S,13'S,14'S,17'S)-17'-(methoxymethoxy)-13'-methylspiro[1,3-dioxolane-2,3'-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene]-7'-carbonitrile
CID 16744992

Frequently Asked Questions

What is the IUPAC name of (3'R,4'S,8'S)-8'-(methoxymethoxymethyl)-3',4',8'-trimethyl-4'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]spiro[1,3-dioxolane-2,6'-2,3,5,7-tetrahydro-1H-naphthalene]?
The IUPAC name of (3'R,4'S,8'S)-8'-(methoxymethoxymethyl)-3',4',8'-trimethyl-4'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]spiro[1,3-dioxolane-2,6'-2,3,5,7-tetrahydro-1H-naphthalene] (CID 101225993) is (3'R,4'S,8'S)-8'-(methoxymethoxymethyl)-3',4',8'-trimethyl-4'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]spiro[1,3-dioxolane-2,6'-2,3,5,7-tetrahydro-1H-naphthalene].
What is the SMILES notation for (3'R,4'S,8'S)-8'-(methoxymethoxymethyl)-3',4',8'-trimethyl-4'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]spiro[1,3-dioxolane-2,6'-2,3,5,7-tetrahydro-1H-naphthalene]?
The canonical SMILES for (3'R,4'S,8'S)-8'-(methoxymethoxymethyl)-3',4',8'-trimethyl-4'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]spiro[1,3-dioxolane-2,6'-2,3,5,7-tetrahydro-1H-naphthalene] is COCOC[C@@]1(C)CC2(CC3=C1CC[C@@H](C)[C@]3(C)CCC1(C)OCCO1)OCCO2.
What is the InChIKey of (3'R,4'S,8'S)-8'-(methoxymethoxymethyl)-3',4',8'-trimethyl-4'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]spiro[1,3-dioxolane-2,6'-2,3,5,7-tetrahydro-1H-naphthalene]?
The InChIKey is MDKWDHWWQKPIFY-QIJUGHKUSA-N. The full InChI is InChI=1S/C24H40O6/c1-18-6-7-19-20(22(18,3)8-9-23(4)27-10-11-28-23)14-24(29-12-13-30-24)15-21(19,2)16-26-17-25-5/h18H,6-17H2,1-5H3/t18-,21-,22+/m1/s1.
What are the key properties of (3'R,4'S,8'S)-8'-(methoxymethoxymethyl)-3',4',8'-trimethyl-4'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]spiro[1,3-dioxolane-2,6'-2,3,5,7-tetrahydro-1H-naphthalene]?
(3'R,4'S,8'S)-8'-(methoxymethoxymethyl)-3',4',8'-trimethyl-4'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]spiro[1,3-dioxolane-2,6'-2,3,5,7-tetrahydro-1H-naphthalene] has a molecular weight of 424.58 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3'R,4'S,8'S)-8'-(methoxymethoxymethyl)-3',4',8'-trimethyl-4'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]spiro[1,3-dioxolane-2,6'-2,3,5,7-tetrahydro-1H-naphthalene] is sourced from PubChem (CID 101225993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).