(1S,4S,4aR,6S,8aR)-8a-ethenyl-1,6-dimethyl-4-propan-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene

C17H30 — CID 143887968

IUPAC(1S,4S,4aR,6S,8aR)-8a-ethenyl-1,6-dimethyl-4-propan-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
SMILESC=C[C@@]12CC[C@H](C)C[C@@H]1[C@H](C(C)C)CC[C@@H]2C
InChIInChI=1S/C17H30/c1-6-17-10-9-13(4)11-16(17)15(12(2)3)8-7-14(17)5/h6,12-16H,1,7-11H2,2-5H3/t13-,14-,15-,16+,17-/m0/s1
InChIKeyHQFZLKLLUKFGHE-VIQHNZTISA-N
MW234.43 g/mol
LogP5.30
Rot. Bonds2

About (1S,4S,4aR,6S,8aR)-8a-ethenyl-1,6-dimethyl-4-propan-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene

(1S,4S,4aR,6S,8aR)-8a-ethenyl-1,6-dimethyl-4-propan-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene (PubChem CID 143887968) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is (1S,4S,4aR,6S,8aR)-8a-ethenyl-1,6-dimethyl-4-propan-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene.

Molecular Properties

Compound Name(1S,4S,4aR,6S,8aR)-8a-ethenyl-1,6-dimethyl-4-propan-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
PubChem CID143887968
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name(1S,4S,4aR,6S,8aR)-8a-ethenyl-1,6-dimethyl-4-propan-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
SMILESC=C[C@@]12CC[C@H](C)C[C@@H]1[C@H](C(C)C)CC[C@@H]2C
InChIInChI=1S/C17H30/c1-6-17-10-9-13(4)11-16(17)15(12(2)3)8-7-14(17)5/h6,12-16H,1,7-11H2,2-5H3/t13-,14-,15-,16+,17-/m0/s1
InChIKeyHQFZLKLLUKFGHE-VIQHNZTISA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1S,4S,4aR,6S,8aR)-8a-ethenyl-1,6-dimethyl-4-propan-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene 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 (1S,4S,4aR,6S,8aR)-8a-ethenyl-1,6-dimethyl-4-propan-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene?
The IUPAC name of (1S,4S,4aR,6S,8aR)-8a-ethenyl-1,6-dimethyl-4-propan-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene (CID 143887968) is (1S,4S,4aR,6S,8aR)-8a-ethenyl-1,6-dimethyl-4-propan-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene.
What is the SMILES notation for (1S,4S,4aR,6S,8aR)-8a-ethenyl-1,6-dimethyl-4-propan-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene?
The canonical SMILES for (1S,4S,4aR,6S,8aR)-8a-ethenyl-1,6-dimethyl-4-propan-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene is C=C[C@@]12CC[C@H](C)C[C@@H]1[C@H](C(C)C)CC[C@@H]2C.
What is the InChIKey of (1S,4S,4aR,6S,8aR)-8a-ethenyl-1,6-dimethyl-4-propan-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene?
The InChIKey is HQFZLKLLUKFGHE-VIQHNZTISA-N. The full InChI is InChI=1S/C17H30/c1-6-17-10-9-13(4)11-16(17)15(12(2)3)8-7-14(17)5/h6,12-16H,1,7-11H2,2-5H3/t13-,14-,15-,16+,17-/m0/s1.
What are the key properties of (1S,4S,4aR,6S,8aR)-8a-ethenyl-1,6-dimethyl-4-propan-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene?
(1S,4S,4aR,6S,8aR)-8a-ethenyl-1,6-dimethyl-4-propan-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene has a molecular weight of 234.43 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S,4aR,6S,8aR)-8a-ethenyl-1,6-dimethyl-4-propan-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene is sourced from PubChem (CID 143887968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).