2-[[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-2-methyl-1,3-dioxolane

C19H32O2 — CID 134971318

IUPAC2-[[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-2-methyl-1,3-dioxolane
SMILESC=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC1(C)OCCO1
InChIInChI=1S/C19H32O2/c1-14-7-8-16-17(2,3)9-6-10-18(16,4)15(14)13-19(5)20-11-12-21-19/h15-16H,1,6-13H2,2-5H3/t15-,16-,18+/m0/s1
InChIKeyZGAVGENNZUKIDY-XYJFISCASA-N
MW292.46 g/mol
LogP4.94
Rot. Bonds2

About 2-[[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-2-methyl-1,3-dioxolane

2-[[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-2-methyl-1,3-dioxolane (PubChem CID 134971318) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 2-[[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-2-methyl-1,3-dioxolane
PubChem CID134971318
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name2-[[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-2-methyl-1,3-dioxolane
SMILESC=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC1(C)OCCO1
InChIInChI=1S/C19H32O2/c1-14-7-8-16-17(2,3)9-6-10-18(16,4)15(14)13-19(5)20-11-12-21-19/h15-16H,1,6-13H2,2-5H3/t15-,16-,18+/m0/s1
InChIKeyZGAVGENNZUKIDY-XYJFISCASA-N
XLogP4.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.46
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-2-methyl-1,3-dioxolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-2-methyl-1,3-dioxolane?
The IUPAC name of 2-[[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-2-methyl-1,3-dioxolane (CID 134971318) is 2-[[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-[[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-[[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-2-methyl-1,3-dioxolane is C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC1(C)OCCO1.
What is the InChIKey of 2-[[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-2-methyl-1,3-dioxolane?
The InChIKey is ZGAVGENNZUKIDY-XYJFISCASA-N. The full InChI is InChI=1S/C19H32O2/c1-14-7-8-16-17(2,3)9-6-10-18(16,4)15(14)13-19(5)20-11-12-21-19/h15-16H,1,6-13H2,2-5H3/t15-,16-,18+/m0/s1.
What are the key properties of 2-[[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-2-methyl-1,3-dioxolane?
2-[[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-2-methyl-1,3-dioxolane has a molecular weight of 292.46 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-2-methyl-1,3-dioxolane is sourced from PubChem (CID 134971318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).