(1S,4R,4aS,6S,8aR)-1,6-dimethyl-4-prop-1-en-2-yl-4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-ol

C15H24O — CID 11106905

IUPAC(1S,4R,4aS,6S,8aR)-1,6-dimethyl-4-prop-1-en-2-yl-4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-ol
SMILESC=C(C)[C@@H]1C=C[C@](C)(O)[C@@H]2CC[C@H](C)C[C@H]21
InChIInChI=1S/C15H24O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h7-8,11-14,16H,1,5-6,9H2,2-4H3/t11-,12-,13-,14+,15-/m0/s1
InChIKeyNQKWUNQUPNPCCJ-LXFSFDBISA-N
MW220.36 g/mol
LogP3.55
Rot. Bonds1

About (1S,4R,4aS,6S,8aR)-1,6-dimethyl-4-prop-1-en-2-yl-4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-ol

(1S,4R,4aS,6S,8aR)-1,6-dimethyl-4-prop-1-en-2-yl-4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-ol (PubChem CID 11106905) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1S,4R,4aS,6S,8aR)-1,6-dimethyl-4-prop-1-en-2-yl-4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-ol.

Molecular Properties

Compound Name(1S,4R,4aS,6S,8aR)-1,6-dimethyl-4-prop-1-en-2-yl-4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-ol
PubChem CID11106905
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1S,4R,4aS,6S,8aR)-1,6-dimethyl-4-prop-1-en-2-yl-4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-ol
SMILESC=C(C)[C@@H]1C=C[C@](C)(O)[C@@H]2CC[C@H](C)C[C@H]21
InChIInChI=1S/C15H24O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h7-8,11-14,16H,1,5-6,9H2,2-4H3/t11-,12-,13-,14+,15-/m0/s1
InChIKeyNQKWUNQUPNPCCJ-LXFSFDBISA-N
XLogP3.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S,4R,4aS,6S,8aR)-1,6-dimethyl-4-prop-1-en-2-yl-4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-ol 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,4R,4aS,6S,8aR)-1,6-dimethyl-4-prop-1-en-2-yl-4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-ol?
The IUPAC name of (1S,4R,4aS,6S,8aR)-1,6-dimethyl-4-prop-1-en-2-yl-4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-ol (CID 11106905) is (1S,4R,4aS,6S,8aR)-1,6-dimethyl-4-prop-1-en-2-yl-4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-ol.
What is the SMILES notation for (1S,4R,4aS,6S,8aR)-1,6-dimethyl-4-prop-1-en-2-yl-4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-ol?
The canonical SMILES for (1S,4R,4aS,6S,8aR)-1,6-dimethyl-4-prop-1-en-2-yl-4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-ol is C=C(C)[C@@H]1C=C[C@](C)(O)[C@@H]2CC[C@H](C)C[C@H]21.
What is the InChIKey of (1S,4R,4aS,6S,8aR)-1,6-dimethyl-4-prop-1-en-2-yl-4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-ol?
The InChIKey is NQKWUNQUPNPCCJ-LXFSFDBISA-N. The full InChI is InChI=1S/C15H24O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h7-8,11-14,16H,1,5-6,9H2,2-4H3/t11-,12-,13-,14+,15-/m0/s1.
What are the key properties of (1S,4R,4aS,6S,8aR)-1,6-dimethyl-4-prop-1-en-2-yl-4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-ol?
(1S,4R,4aS,6S,8aR)-1,6-dimethyl-4-prop-1-en-2-yl-4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-ol has a molecular weight of 220.36 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,4aS,6S,8aR)-1,6-dimethyl-4-prop-1-en-2-yl-4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-ol is sourced from PubChem (CID 11106905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).