(6bS,8aR,12aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13,14,14a-tetradecahydropicene

C30H50 — CID 5319934

IUPAC(6bS,8aR,12aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13,14,14a-tetradecahydropicene
SMILESCC1(C)CC[C@]2(C)CC[C@]3(C)C4=CCC5C(C)(C)CCC[C@]5(C)C4CCC3(C)[C@@H]2C1
InChIInChI=1S/C30H50/c1-25(2)16-17-27(5)18-19-29(7)22-10-11-23-26(3,4)13-9-14-28(23,6)21(22)12-15-30(29,8)24(27)20-25/h10,21,23-24H,9,11-20H2,1-8H3/t21?,23?,24-,27-,28-,29-,30?/m1/s1
InChIKeyDLEIYVDJTDXZOP-IUZQKWQESA-N
MW410.73 g/mol
LogP9.20
Rot. Bonds

About (6bS,8aR,12aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13,14,14a-tetradecahydropicene

(6bS,8aR,12aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13,14,14a-tetradecahydropicene (PubChem CID 5319934) has the molecular formula C30H50 and a molecular weight of 410.73 g/mol. Its IUPAC name is (6bS,8aR,12aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13,14,14a-tetradecahydropicene.

Molecular Properties

Compound Name(6bS,8aR,12aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13,14,14a-tetradecahydropicene
PubChem CID5319934
Molecular FormulaC30H50
Molecular Weight410.73 g/mol
Exact Mass410.39
IUPAC Name(6bS,8aR,12aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13,14,14a-tetradecahydropicene
SMILESCC1(C)CC[C@]2(C)CC[C@]3(C)C4=CCC5C(C)(C)CCC[C@]5(C)C4CCC3(C)[C@@H]2C1
InChIInChI=1S/C30H50/c1-25(2)16-17-27(5)18-19-29(7)22-10-11-23-26(3,4)13-9-14-28(23,6)21(22)12-15-30(29,8)24(27)20-25/h10,21,23-24H,9,11-20H2,1-8H3/t21?,23?,24-,27-,28-,29-,30?/m1/s1
InChIKeyDLEIYVDJTDXZOP-IUZQKWQESA-N
XLogP9.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.73
LogP ≤ 59.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (6bS,8aR,12aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13,14,14a-tetradecahydropicene 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 (6bS,8aR,12aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13,14,14a-tetradecahydropicene?
The IUPAC name of (6bS,8aR,12aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13,14,14a-tetradecahydropicene (CID 5319934) is (6bS,8aR,12aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13,14,14a-tetradecahydropicene.
What is the SMILES notation for (6bS,8aR,12aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13,14,14a-tetradecahydropicene?
The canonical SMILES for (6bS,8aR,12aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13,14,14a-tetradecahydropicene is CC1(C)CC[C@]2(C)CC[C@]3(C)C4=CCC5C(C)(C)CCC[C@]5(C)C4CCC3(C)[C@@H]2C1.
What is the InChIKey of (6bS,8aR,12aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13,14,14a-tetradecahydropicene?
The InChIKey is DLEIYVDJTDXZOP-IUZQKWQESA-N. The full InChI is InChI=1S/C30H50/c1-25(2)16-17-27(5)18-19-29(7)22-10-11-23-26(3,4)13-9-14-28(23,6)21(22)12-15-30(29,8)24(27)20-25/h10,21,23-24H,9,11-20H2,1-8H3/t21?,23?,24-,27-,28-,29-,30?/m1/s1.
What are the key properties of (6bS,8aR,12aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13,14,14a-tetradecahydropicene?
(6bS,8aR,12aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13,14,14a-tetradecahydropicene has a molecular weight of 410.73 g/mol, XLogP of 9.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6bS,8aR,12aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13,14,14a-tetradecahydropicene is sourced from PubChem (CID 5319934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).