(2R,6S,8aR)-6-methoxy-8a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene

C16H26O — CID 91747508

IUPAC(2R,6S,8aR)-6-methoxy-8a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene
SMILESC=C1C[C@H](OC)C=C2CC[C@@H](C(C)C)C[C@]12C
InChIInChI=1S/C16H26O/c1-11(2)13-6-7-14-9-15(17-5)8-12(3)16(14,4)10-13/h9,11,13,15H,3,6-8,10H2,1-2,4-5H3/t13-,15+,16-/m1/s1
InChIKeyYBDXWBCELMMYLN-VNQPRFMTSA-N
MW234.38 g/mol
LogP4.35
Rot. Bonds2

About (2R,6S,8aR)-6-methoxy-8a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene

(2R,6S,8aR)-6-methoxy-8a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene (PubChem CID 91747508) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is (2R,6S,8aR)-6-methoxy-8a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene.

Molecular Properties

Compound Name(2R,6S,8aR)-6-methoxy-8a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene
PubChem CID91747508
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name(2R,6S,8aR)-6-methoxy-8a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene
SMILESC=C1C[C@H](OC)C=C2CC[C@@H](C(C)C)C[C@]12C
InChIInChI=1S/C16H26O/c1-11(2)13-6-7-14-9-15(17-5)8-12(3)16(14,4)10-13/h9,11,13,15H,3,6-8,10H2,1-2,4-5H3/t13-,15+,16-/m1/s1
InChIKeyYBDXWBCELMMYLN-VNQPRFMTSA-N
XLogP4.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R,6S,8aR)-6-methoxy-8a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,6S,8aR)-6-methoxy-8a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene?
The IUPAC name of (2R,6S,8aR)-6-methoxy-8a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene (CID 91747508) is (2R,6S,8aR)-6-methoxy-8a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene.
What is the SMILES notation for (2R,6S,8aR)-6-methoxy-8a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene?
The canonical SMILES for (2R,6S,8aR)-6-methoxy-8a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene is C=C1C[C@H](OC)C=C2CC[C@@H](C(C)C)C[C@]12C.
What is the InChIKey of (2R,6S,8aR)-6-methoxy-8a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene?
The InChIKey is YBDXWBCELMMYLN-VNQPRFMTSA-N. The full InChI is InChI=1S/C16H26O/c1-11(2)13-6-7-14-9-15(17-5)8-12(3)16(14,4)10-13/h9,11,13,15H,3,6-8,10H2,1-2,4-5H3/t13-,15+,16-/m1/s1.
What are the key properties of (2R,6S,8aR)-6-methoxy-8a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene?
(2R,6S,8aR)-6-methoxy-8a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene has a molecular weight of 234.38 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S,8aR)-6-methoxy-8a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,6,7-hexahydronaphthalene is sourced from PubChem (CID 91747508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).