3'-methoxy-3'a,7',7',7'a-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydro-1H-indene]

C16H28O3 — CID 123877570

IUPAC3'-methoxy-3'a,7',7',7'a-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydro-1H-indene]
SMILESCOC1CCC2(C)C1(C)CCC1(OCCO1)C2(C)C
InChIInChI=1S/C16H28O3/c1-13(2)15(4)7-6-12(17-5)14(15,3)8-9-16(13)18-10-11-19-16/h12H,6-11H2,1-5H3
InChIKeyWTQXZGFJUSOPSZ-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.37
Rot. Bonds1

About 3'-methoxy-3'a,7',7',7'a-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydro-1H-indene]

3'-methoxy-3'a,7',7',7'a-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydro-1H-indene] (PubChem CID 123877570) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3'-methoxy-3'a,7',7',7'a-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydro-1H-indene].

Molecular Properties

Compound Name3'-methoxy-3'a,7',7',7'a-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydro-1H-indene]
PubChem CID123877570
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Name3'-methoxy-3'a,7',7',7'a-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydro-1H-indene]
SMILESCOC1CCC2(C)C1(C)CCC1(OCCO1)C2(C)C
InChIInChI=1S/C16H28O3/c1-13(2)15(4)7-6-12(17-5)14(15,3)8-9-16(13)18-10-11-19-16/h12H,6-11H2,1-5H3
InChIKeyWTQXZGFJUSOPSZ-UHFFFAOYSA-N
XLogP3.37
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3'-methoxy-3'a,7',7',7'a-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydro-1H-indene] with MolForge

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Related Compounds

4'a,5',5',8'a-tetramethyl-1'-oxospiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-carboxylic acid
CID 123499726
2-methoxy-1,1-dimethylcyclobutane
CID 58806257
1',5',5'-trimethylspiro[1,3-dioxolane-2,2'-bicyclo[5.1.0]octane]
CID 130022319
7'-(bromomethyl)-1',7'-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]
CID 2778023
2-(2-hydroxyoxetan-2-yl)-3-methoxyoxolan-2-ol
CID 20515086
(1S)-2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 59093744
(1R,2R,4R)-2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 12859587
2,2-dimethyl-4,7-dioxaspiro[2.4]heptane
CID 131851587
(7R)-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-ol
CID 135272503
(2'R,8'aR)-4'a,8',8'-trimethyl-2'-propan-2-ylspiro[1,3-dioxolane-2,7'-2,3,4,5,6,8a-hexahydrochromene]
CID 142407594
(4'aS,8'aR)-2'-ethyl-4'a,8',8'-trimethylspiro[1,3-dioxolane-2,7'-2,3,4,5,6,8a-hexahydrochromene]
CID 166892307
7-[2-(4-methoxy-3-methylphenyl)ethyl]-6,6,8-trimethyl-1,4-dioxaspiro[4.5]decan-7-ol
CID 11681794

Frequently Asked Questions

What is the IUPAC name of 3'-methoxy-3'a,7',7',7'a-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydro-1H-indene]?
The IUPAC name of 3'-methoxy-3'a,7',7',7'a-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydro-1H-indene] (CID 123877570) is 3'-methoxy-3'a,7',7',7'a-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydro-1H-indene].
What is the SMILES notation for 3'-methoxy-3'a,7',7',7'a-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydro-1H-indene]?
The canonical SMILES for 3'-methoxy-3'a,7',7',7'a-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydro-1H-indene] is COC1CCC2(C)C1(C)CCC1(OCCO1)C2(C)C.
What is the InChIKey of 3'-methoxy-3'a,7',7',7'a-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydro-1H-indene]?
The InChIKey is WTQXZGFJUSOPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3/c1-13(2)15(4)7-6-12(17-5)14(15,3)8-9-16(13)18-10-11-19-16/h12H,6-11H2,1-5H3.
What are the key properties of 3'-methoxy-3'a,7',7',7'a-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydro-1H-indene]?
3'-methoxy-3'a,7',7',7'a-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydro-1H-indene] has a molecular weight of 268.40 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-methoxy-3'a,7',7',7'a-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4,5-tetrahydro-1H-indene] is sourced from PubChem (CID 123877570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).