(1'S,2'R,5'S,6'S,7'S)-6'-[2-(methoxymethoxy)ethyl]-5'-methylspiro[1,3-dioxolane-2,3'-11-oxatetracyclo[5.3.2.12,6.01,7]tridecane]

C19H30O5 — CID 10914718

IUPAC(1'S,2'R,5'S,6'S,7'S)-6'-[2-(methoxymethoxy)ethyl]-5'-methylspiro[1,3-dioxolane-2,3'-11-oxatetracyclo[5.3.2.12,6.01,7]tridecane]
SMILESCOCOCC[C@@]12C[C@@H](C3(C[C@@H]1C)OCCO3)[C@@]13CCC[C@@]21CO3
InChIInChI=1S/C19H30O5/c1-14-10-19(22-8-9-23-19)15-11-16(14,6-7-21-13-20-2)17-4-3-5-18(15,17)24-12-17/h14-15H,3-13H2,1-2H3/t14-,15+,16+,17+,18-/m0/s1
InChIKeyFWKLWZXWDLUXNT-TZNCUMHOSA-N
MW338.44 g/mol
LogP2.73
Rot. Bonds5

About (1'S,2'R,5'S,6'S,7'S)-6'-[2-(methoxymethoxy)ethyl]-5'-methylspiro[1,3-dioxolane-2,3'-11-oxatetracyclo[5.3.2.12,6.01,7]tridecane]

(1'S,2'R,5'S,6'S,7'S)-6'-[2-(methoxymethoxy)ethyl]-5'-methylspiro[1,3-dioxolane-2,3'-11-oxatetracyclo[5.3.2.12,6.01,7]tridecane] (PubChem CID 10914718) has the molecular formula C19H30O5 and a molecular weight of 338.44 g/mol. Its IUPAC name is (1'S,2'R,5'S,6'S,7'S)-6'-[2-(methoxymethoxy)ethyl]-5'-methylspiro[1,3-dioxolane-2,3'-11-oxatetracyclo[5.3.2.12,6.01,7]tridecane].

Molecular Properties

Compound Name(1'S,2'R,5'S,6'S,7'S)-6'-[2-(methoxymethoxy)ethyl]-5'-methylspiro[1,3-dioxolane-2,3'-11-oxatetracyclo[5.3.2.12,6.01,7]tridecane]
PubChem CID10914718
Molecular FormulaC19H30O5
Molecular Weight338.44 g/mol
Exact Mass338.21
IUPAC Name(1'S,2'R,5'S,6'S,7'S)-6'-[2-(methoxymethoxy)ethyl]-5'-methylspiro[1,3-dioxolane-2,3'-11-oxatetracyclo[5.3.2.12,6.01,7]tridecane]
SMILESCOCOCC[C@@]12C[C@@H](C3(C[C@@H]1C)OCCO3)[C@@]13CCC[C@@]21CO3
InChIInChI=1S/C19H30O5/c1-14-10-19(22-8-9-23-19)15-11-16(14,6-7-21-13-20-2)17-4-3-5-18(15,17)24-12-17/h14-15H,3-13H2,1-2H3/t14-,15+,16+,17+,18-/m0/s1
InChIKeyFWKLWZXWDLUXNT-TZNCUMHOSA-N
XLogP2.73
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(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
methyl (1'S,4'S,5'R)-5'-[2-(methoxymethoxy)ethyl]-4'-methyl-7'-prop-2-enoxyspiro[1,3-dioxolane-2,2'-bicyclo[3.2.1]oct-6-ene]-6'-carboxylate
CID 11199912
(9S)-9-(methoxymethoxymethyl)-1,4-dioxaspiro[4.4]nonane
CID 124672672
2-methoxy-2-[5-(methoxymethoxy)pentyl]oxolane
CID 11983660
5-[(1R,2R)-2-acetyl-1-[2-(methoxymethoxy)ethyl]cyclobutyl]pentan-2-one
CID 11032933
2-methyl-2-[(9S)-1,4,7-trioxaspiro[4.4]nonan-9-yl]propan-1-amine
CID 125181068
6-methyl-9-(2-methyloxiran-2-yl)-1,4-dioxaspiro[4.5]decane
CID 593229
(7R)-7-methoxy-5-oxaspiro[3.4]octane
CID 162176613
4-[2-(methoxymethoxy)ethyl]-6-methyl-4-prop-2-enylcyclohex-2-en-1-one
CID 11770519
8-(1-cyclopropylideneethyl)-8-(methoxymethoxymethyl)-1,4-dioxaspiro[4.5]decane
CID 11033330
2-(2-methoxyethoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone
CID 114032509
tert-butyl-[[(1S,2R,5R)-7-(methoxymethoxy)-6,6-dimethyl-2-tricyclo[3.3.3.01,5]undecanyl]oxy]-dimethylsilane
CID 162786768

Frequently Asked Questions

What is the IUPAC name of (1'S,2'R,5'S,6'S,7'S)-6'-[2-(methoxymethoxy)ethyl]-5'-methylspiro[1,3-dioxolane-2,3'-11-oxatetracyclo[5.3.2.12,6.01,7]tridecane]?
The IUPAC name of (1'S,2'R,5'S,6'S,7'S)-6'-[2-(methoxymethoxy)ethyl]-5'-methylspiro[1,3-dioxolane-2,3'-11-oxatetracyclo[5.3.2.12,6.01,7]tridecane] (CID 10914718) is (1'S,2'R,5'S,6'S,7'S)-6'-[2-(methoxymethoxy)ethyl]-5'-methylspiro[1,3-dioxolane-2,3'-11-oxatetracyclo[5.3.2.12,6.01,7]tridecane].
What is the SMILES notation for (1'S,2'R,5'S,6'S,7'S)-6'-[2-(methoxymethoxy)ethyl]-5'-methylspiro[1,3-dioxolane-2,3'-11-oxatetracyclo[5.3.2.12,6.01,7]tridecane]?
The canonical SMILES for (1'S,2'R,5'S,6'S,7'S)-6'-[2-(methoxymethoxy)ethyl]-5'-methylspiro[1,3-dioxolane-2,3'-11-oxatetracyclo[5.3.2.12,6.01,7]tridecane] is COCOCC[C@@]12C[C@@H](C3(C[C@@H]1C)OCCO3)[C@@]13CCC[C@@]21CO3.
What is the InChIKey of (1'S,2'R,5'S,6'S,7'S)-6'-[2-(methoxymethoxy)ethyl]-5'-methylspiro[1,3-dioxolane-2,3'-11-oxatetracyclo[5.3.2.12,6.01,7]tridecane]?
The InChIKey is FWKLWZXWDLUXNT-TZNCUMHOSA-N. The full InChI is InChI=1S/C19H30O5/c1-14-10-19(22-8-9-23-19)15-11-16(14,6-7-21-13-20-2)17-4-3-5-18(15,17)24-12-17/h14-15H,3-13H2,1-2H3/t14-,15+,16+,17+,18-/m0/s1.
What are the key properties of (1'S,2'R,5'S,6'S,7'S)-6'-[2-(methoxymethoxy)ethyl]-5'-methylspiro[1,3-dioxolane-2,3'-11-oxatetracyclo[5.3.2.12,6.01,7]tridecane]?
(1'S,2'R,5'S,6'S,7'S)-6'-[2-(methoxymethoxy)ethyl]-5'-methylspiro[1,3-dioxolane-2,3'-11-oxatetracyclo[5.3.2.12,6.01,7]tridecane] has a molecular weight of 338.44 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,2'R,5'S,6'S,7'S)-6'-[2-(methoxymethoxy)ethyl]-5'-methylspiro[1,3-dioxolane-2,3'-11-oxatetracyclo[5.3.2.12,6.01,7]tridecane] is sourced from PubChem (CID 10914718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).