(8aS)-6-(1-methoxypropan-2-yl)-8a-methyl-4-methylidene-1,2,3,4a,5,8-hexahydronaphthalene

C16H26O — CID 91747498

IUPAC(8aS)-6-(1-methoxypropan-2-yl)-8a-methyl-4-methylidene-1,2,3,4a,5,8-hexahydronaphthalene
SMILESC=C1CCC[C@@]2(C)CC=C(C(C)COC)CC12
InChIInChI=1S/C16H26O/c1-12-6-5-8-16(3)9-7-14(10-15(12)16)13(2)11-17-4/h7,13,15H,1,5-6,8-11H2,2-4H3/t13?,15?,16-/m0/s1
InChIKeyJGJVWKKEHVYBGK-BCLQGDPASA-N
MW234.38 g/mol
LogP4.35
Rot. Bonds3

About (8aS)-6-(1-methoxypropan-2-yl)-8a-methyl-4-methylidene-1,2,3,4a,5,8-hexahydronaphthalene

(8aS)-6-(1-methoxypropan-2-yl)-8a-methyl-4-methylidene-1,2,3,4a,5,8-hexahydronaphthalene (PubChem CID 91747498) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is (8aS)-6-(1-methoxypropan-2-yl)-8a-methyl-4-methylidene-1,2,3,4a,5,8-hexahydronaphthalene.

Molecular Properties

Compound Name(8aS)-6-(1-methoxypropan-2-yl)-8a-methyl-4-methylidene-1,2,3,4a,5,8-hexahydronaphthalene
PubChem CID91747498
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name(8aS)-6-(1-methoxypropan-2-yl)-8a-methyl-4-methylidene-1,2,3,4a,5,8-hexahydronaphthalene
SMILESC=C1CCC[C@@]2(C)CC=C(C(C)COC)CC12
InChIInChI=1S/C16H26O/c1-12-6-5-8-16(3)9-7-14(10-15(12)16)13(2)11-17-4/h7,13,15H,1,5-6,8-11H2,2-4H3/t13?,15?,16-/m0/s1
InChIKeyJGJVWKKEHVYBGK-BCLQGDPASA-N
XLogP4.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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'}

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Related Compounds

(-)-Drimenol
CID 3080551
(2,5,5,8a-Tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)methanol
CID 298071
2-(2-Methoxyethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene
CID 12547710
6,6-Dimethyl-2-(2-propoxyethyl)bicyclo[3.1.1]hept-2-ene
CID 15410424
1-Methoxy-4-cadinene
CID 11447728
[(1R,4aR,8aR)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol
CID 11863566
2-[(4aR,8aS)-3,8,8-trimethyl-1,2,5,6,7,8a-hexahydronaphthalen-4a-yl]ethanol
CID 15341881
[(1S,4aS,8aR)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol
CID 1202794
2-(2-Ethoxyethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene
CID 15410423
Eutyscoparin G
CID 164618675
[(1S,4aR,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol
CID 7478989
[(1S,4aS,5S,8aS)-5,8a-dimethyl-2-methylidene-5-(4-methylpent-3-enyl)-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol
CID 101938877

Frequently Asked Questions

What is the IUPAC name of (8aS)-6-(1-methoxypropan-2-yl)-8a-methyl-4-methylidene-1,2,3,4a,5,8-hexahydronaphthalene?
The IUPAC name of (8aS)-6-(1-methoxypropan-2-yl)-8a-methyl-4-methylidene-1,2,3,4a,5,8-hexahydronaphthalene (CID 91747498) is (8aS)-6-(1-methoxypropan-2-yl)-8a-methyl-4-methylidene-1,2,3,4a,5,8-hexahydronaphthalene.
What is the SMILES notation for (8aS)-6-(1-methoxypropan-2-yl)-8a-methyl-4-methylidene-1,2,3,4a,5,8-hexahydronaphthalene?
The canonical SMILES for (8aS)-6-(1-methoxypropan-2-yl)-8a-methyl-4-methylidene-1,2,3,4a,5,8-hexahydronaphthalene is C=C1CCC[C@@]2(C)CC=C(C(C)COC)CC12.
What is the InChIKey of (8aS)-6-(1-methoxypropan-2-yl)-8a-methyl-4-methylidene-1,2,3,4a,5,8-hexahydronaphthalene?
The InChIKey is JGJVWKKEHVYBGK-BCLQGDPASA-N. The full InChI is InChI=1S/C16H26O/c1-12-6-5-8-16(3)9-7-14(10-15(12)16)13(2)11-17-4/h7,13,15H,1,5-6,8-11H2,2-4H3/t13?,15?,16-/m0/s1.
What are the key properties of (8aS)-6-(1-methoxypropan-2-yl)-8a-methyl-4-methylidene-1,2,3,4a,5,8-hexahydronaphthalene?
(8aS)-6-(1-methoxypropan-2-yl)-8a-methyl-4-methylidene-1,2,3,4a,5,8-hexahydronaphthalene has a molecular weight of 234.38 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-6-(1-methoxypropan-2-yl)-8a-methyl-4-methylidene-1,2,3,4a,5,8-hexahydronaphthalene is sourced from PubChem (CID 91747498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).