(6aR,10aR)-6,6,9-trimethyl-3-[(2R,3S)-3-methyloctan-2-yl]-6a,7,10,10a-tetrahydrobenzo[c]chromene

C25H38O — CID 10247579

IUPAC(6aR,10aR)-6,6,9-trimethyl-3-[(2R,3S)-3-methyloctan-2-yl]-6a,7,10,10a-tetrahydrobenzo[c]chromene
SMILESCCCCC[C@H](C)[C@@H](C)c1ccc2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21
InChIInChI=1S/C25H38O/c1-7-8-9-10-18(3)19(4)20-12-13-21-22-15-17(2)11-14-23(22)25(5,6)26-24(21)16-20/h11-13,16,18-19,22-23H,7-10,14-15H2,1-6H3/t18-,19+,22-,23+/m0/s1
InChIKeyKFENKXLOZUVTGH-JFSTXAPLSA-N
MW354.58 g/mol
LogP7.62
Rot. Bonds6

About (6aR,10aR)-6,6,9-trimethyl-3-[(2R,3S)-3-methyloctan-2-yl]-6a,7,10,10a-tetrahydrobenzo[c]chromene

(6aR,10aR)-6,6,9-trimethyl-3-[(2R,3S)-3-methyloctan-2-yl]-6a,7,10,10a-tetrahydrobenzo[c]chromene (PubChem CID 10247579) has the molecular formula C25H38O and a molecular weight of 354.58 g/mol. Its IUPAC name is (6aR,10aR)-6,6,9-trimethyl-3-[(2R,3S)-3-methyloctan-2-yl]-6a,7,10,10a-tetrahydrobenzo[c]chromene.

Molecular Properties

Compound Name(6aR,10aR)-6,6,9-trimethyl-3-[(2R,3S)-3-methyloctan-2-yl]-6a,7,10,10a-tetrahydrobenzo[c]chromene
PubChem CID10247579
Molecular FormulaC25H38O
Molecular Weight354.58 g/mol
Exact Mass354.29
IUPAC Name(6aR,10aR)-6,6,9-trimethyl-3-[(2R,3S)-3-methyloctan-2-yl]-6a,7,10,10a-tetrahydrobenzo[c]chromene
SMILESCCCCC[C@H](C)[C@@H](C)c1ccc2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21
InChIInChI=1S/C25H38O/c1-7-8-9-10-18(3)19(4)20-12-13-21-22-15-17(2)11-14-23(22)25(5,6)26-24(21)16-20/h11-13,16,18-19,22-23H,7-10,14-15H2,1-6H3/t18-,19+,22-,23+/m0/s1
InChIKeyKFENKXLOZUVTGH-JFSTXAPLSA-N
XLogP7.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.58
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (6aR,10aR)-6,6,9-trimethyl-3-[(2R,3S)-3-methyloctan-2-yl]-6a,7,10,10a-tetrahydrobenzo[c]chromene with MolForge

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

Launch Full Analysis

Related Compounds

Tetrahydrocannabinol
CID 16078
Delta-Tocopherol
CID 92094
Tocopherols
CID 14986
(+)-gamma-Tocopherol
CID 92729
Delta-Tocotrienol
CID 5282350
Delta-8-Tetrahydrocannabinol
CID 638026
Tocotrienol
CID 9929901
Tetrahydrocannabivarin
CID 93147
Carvacryl acetate
CID 80792
Xanthene
CID 7107
Gamma-Tocotrienol
CID 5282349
Beta-Tocopherol
CID 6857447

Frequently Asked Questions

What is the IUPAC name of (6aR,10aR)-6,6,9-trimethyl-3-[(2R,3S)-3-methyloctan-2-yl]-6a,7,10,10a-tetrahydrobenzo[c]chromene?
The IUPAC name of (6aR,10aR)-6,6,9-trimethyl-3-[(2R,3S)-3-methyloctan-2-yl]-6a,7,10,10a-tetrahydrobenzo[c]chromene (CID 10247579) is (6aR,10aR)-6,6,9-trimethyl-3-[(2R,3S)-3-methyloctan-2-yl]-6a,7,10,10a-tetrahydrobenzo[c]chromene.
What is the SMILES notation for (6aR,10aR)-6,6,9-trimethyl-3-[(2R,3S)-3-methyloctan-2-yl]-6a,7,10,10a-tetrahydrobenzo[c]chromene?
The canonical SMILES for (6aR,10aR)-6,6,9-trimethyl-3-[(2R,3S)-3-methyloctan-2-yl]-6a,7,10,10a-tetrahydrobenzo[c]chromene is CCCCC[C@H](C)[C@@H](C)c1ccc2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21.
What is the InChIKey of (6aR,10aR)-6,6,9-trimethyl-3-[(2R,3S)-3-methyloctan-2-yl]-6a,7,10,10a-tetrahydrobenzo[c]chromene?
The InChIKey is KFENKXLOZUVTGH-JFSTXAPLSA-N. The full InChI is InChI=1S/C25H38O/c1-7-8-9-10-18(3)19(4)20-12-13-21-22-15-17(2)11-14-23(22)25(5,6)26-24(21)16-20/h11-13,16,18-19,22-23H,7-10,14-15H2,1-6H3/t18-,19+,22-,23+/m0/s1.
What are the key properties of (6aR,10aR)-6,6,9-trimethyl-3-[(2R,3S)-3-methyloctan-2-yl]-6a,7,10,10a-tetrahydrobenzo[c]chromene?
(6aR,10aR)-6,6,9-trimethyl-3-[(2R,3S)-3-methyloctan-2-yl]-6a,7,10,10a-tetrahydrobenzo[c]chromene has a molecular weight of 354.58 g/mol, XLogP of 7.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,10aR)-6,6,9-trimethyl-3-[(2R,3S)-3-methyloctan-2-yl]-6a,7,10,10a-tetrahydrobenzo[c]chromene is sourced from PubChem (CID 10247579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).