(4'S,4'aS,8'aS)-4',8'a-dimethyl-4'-(4-methylpent-3-enyl)spiro[1,3-dioxolane-2,8'-2,3,4a,5,6,7-hexahydro-1H-naphthalene]

C20H34O2 — CID 14061227

IUPAC(4'S,4'aS,8'aS)-4',8'a-dimethyl-4'-(4-methylpent-3-enyl)spiro[1,3-dioxolane-2,8'-2,3,4a,5,6,7-hexahydro-1H-naphthalene]
SMILESCC(C)=CCC[C@]1(C)CCC[C@@]2(C)[C@H]1CCCC21OCCO1
InChIInChI=1S/C20H34O2/c1-16(2)8-5-10-18(3)11-7-12-19(4)17(18)9-6-13-20(19)21-14-15-22-20/h8,17H,5-7,9-15H2,1-4H3/t17-,18+,19-/m0/s1
InChIKeyNNNJBVICGSMWIP-OTWHNJEPSA-N
MW306.49 g/mol
LogP5.47
Rot. Bonds3

About (4'S,4'aS,8'aS)-4',8'a-dimethyl-4'-(4-methylpent-3-enyl)spiro[1,3-dioxolane-2,8'-2,3,4a,5,6,7-hexahydro-1H-naphthalene]

(4'S,4'aS,8'aS)-4',8'a-dimethyl-4'-(4-methylpent-3-enyl)spiro[1,3-dioxolane-2,8'-2,3,4a,5,6,7-hexahydro-1H-naphthalene] (PubChem CID 14061227) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is (4'S,4'aS,8'aS)-4',8'a-dimethyl-4'-(4-methylpent-3-enyl)spiro[1,3-dioxolane-2,8'-2,3,4a,5,6,7-hexahydro-1H-naphthalene].

Molecular Properties

Compound Name(4'S,4'aS,8'aS)-4',8'a-dimethyl-4'-(4-methylpent-3-enyl)spiro[1,3-dioxolane-2,8'-2,3,4a,5,6,7-hexahydro-1H-naphthalene]
PubChem CID14061227
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name(4'S,4'aS,8'aS)-4',8'a-dimethyl-4'-(4-methylpent-3-enyl)spiro[1,3-dioxolane-2,8'-2,3,4a,5,6,7-hexahydro-1H-naphthalene]
SMILESCC(C)=CCC[C@]1(C)CCC[C@@]2(C)[C@H]1CCCC21OCCO1
InChIInChI=1S/C20H34O2/c1-16(2)8-5-10-18(3)11-7-12-19(4)17(18)9-6-13-20(19)21-14-15-22-20/h8,17H,5-7,9-15H2,1-4H3/t17-,18+,19-/m0/s1
InChIKeyNNNJBVICGSMWIP-OTWHNJEPSA-N
XLogP5.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4'S,4'aS,8'aS)-4',8'a-dimethyl-4'-(4-methylpent-3-enyl)spiro[1,3-dioxolane-2,8'-2,3,4a,5,6,7-hexahydro-1H-naphthalene] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4'S,4'aS,8'aS)-4',8'a-dimethyl-4'-(4-methylpent-3-enyl)spiro[1,3-dioxolane-2,8'-2,3,4a,5,6,7-hexahydro-1H-naphthalene]?
The IUPAC name of (4'S,4'aS,8'aS)-4',8'a-dimethyl-4'-(4-methylpent-3-enyl)spiro[1,3-dioxolane-2,8'-2,3,4a,5,6,7-hexahydro-1H-naphthalene] (CID 14061227) is (4'S,4'aS,8'aS)-4',8'a-dimethyl-4'-(4-methylpent-3-enyl)spiro[1,3-dioxolane-2,8'-2,3,4a,5,6,7-hexahydro-1H-naphthalene].
What is the SMILES notation for (4'S,4'aS,8'aS)-4',8'a-dimethyl-4'-(4-methylpent-3-enyl)spiro[1,3-dioxolane-2,8'-2,3,4a,5,6,7-hexahydro-1H-naphthalene]?
The canonical SMILES for (4'S,4'aS,8'aS)-4',8'a-dimethyl-4'-(4-methylpent-3-enyl)spiro[1,3-dioxolane-2,8'-2,3,4a,5,6,7-hexahydro-1H-naphthalene] is CC(C)=CCC[C@]1(C)CCC[C@@]2(C)[C@H]1CCCC21OCCO1.
What is the InChIKey of (4'S,4'aS,8'aS)-4',8'a-dimethyl-4'-(4-methylpent-3-enyl)spiro[1,3-dioxolane-2,8'-2,3,4a,5,6,7-hexahydro-1H-naphthalene]?
The InChIKey is NNNJBVICGSMWIP-OTWHNJEPSA-N. The full InChI is InChI=1S/C20H34O2/c1-16(2)8-5-10-18(3)11-7-12-19(4)17(18)9-6-13-20(19)21-14-15-22-20/h8,17H,5-7,9-15H2,1-4H3/t17-,18+,19-/m0/s1.
What are the key properties of (4'S,4'aS,8'aS)-4',8'a-dimethyl-4'-(4-methylpent-3-enyl)spiro[1,3-dioxolane-2,8'-2,3,4a,5,6,7-hexahydro-1H-naphthalene]?
(4'S,4'aS,8'aS)-4',8'a-dimethyl-4'-(4-methylpent-3-enyl)spiro[1,3-dioxolane-2,8'-2,3,4a,5,6,7-hexahydro-1H-naphthalene] has a molecular weight of 306.49 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4'S,4'aS,8'aS)-4',8'a-dimethyl-4'-(4-methylpent-3-enyl)spiro[1,3-dioxolane-2,8'-2,3,4a,5,6,7-hexahydro-1H-naphthalene] is sourced from PubChem (CID 14061227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).