15-(5,6-dihydroxy-6-methylheptan-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-4,6,10-triol

C30H52O5 — CID 162992108

IUPAC15-(5,6-dihydroxy-6-methylheptan-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-4,6,10-triol
SMILESCC(CCC(O)C(C)(C)O)C1CCC2(C)C3C(O)CC4C(C)(C)C(O)CC(O)C45CC35CCC12C
InChIInChI=1S/C30H52O5/c1-17(8-9-21(32)26(4,5)35)18-10-11-28(7)24-19(31)14-20-25(2,3)22(33)15-23(34)30(20)16-29(24,30)13-12-27(18,28)6/h17-24,31-35H,8-16H2,1-7H3
InChIKeySKQXIRAMSJKHTH-UHFFFAOYSA-N
MW492.74 g/mol
LogP4.28
Rot. Bonds5

About 15-(5,6-dihydroxy-6-methylheptan-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-4,6,10-triol

15-(5,6-dihydroxy-6-methylheptan-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-4,6,10-triol (PubChem CID 162992108) has the molecular formula C30H52O5 and a molecular weight of 492.74 g/mol. Its IUPAC name is 15-(5,6-dihydroxy-6-methylheptan-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-4,6,10-triol.

Molecular Properties

Compound Name15-(5,6-dihydroxy-6-methylheptan-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-4,6,10-triol
PubChem CID162992108
Molecular FormulaC30H52O5
Molecular Weight492.74 g/mol
Exact Mass492.38
IUPAC Name15-(5,6-dihydroxy-6-methylheptan-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-4,6,10-triol
SMILESCC(CCC(O)C(C)(C)O)C1CCC2(C)C3C(O)CC4C(C)(C)C(O)CC(O)C45CC35CCC12C
InChIInChI=1S/C30H52O5/c1-17(8-9-21(32)26(4,5)35)18-10-11-28(7)24-19(31)14-20-25(2,3)22(33)15-23(34)30(20)16-29(24,30)13-12-27(18,28)6/h17-24,31-35H,8-16H2,1-7H3
InChIKeySKQXIRAMSJKHTH-UHFFFAOYSA-N
XLogP4.28
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.74
LogP ≤ 54.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 15-(5,6-dihydroxy-6-methylheptan-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-4,6,10-triol 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 15-(5,6-dihydroxy-6-methylheptan-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-4,6,10-triol?
The IUPAC name of 15-(5,6-dihydroxy-6-methylheptan-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-4,6,10-triol (CID 162992108) is 15-(5,6-dihydroxy-6-methylheptan-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-4,6,10-triol.
What is the SMILES notation for 15-(5,6-dihydroxy-6-methylheptan-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-4,6,10-triol?
The canonical SMILES for 15-(5,6-dihydroxy-6-methylheptan-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-4,6,10-triol is CC(CCC(O)C(C)(C)O)C1CCC2(C)C3C(O)CC4C(C)(C)C(O)CC(O)C45CC35CCC12C.
What is the InChIKey of 15-(5,6-dihydroxy-6-methylheptan-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-4,6,10-triol?
The InChIKey is SKQXIRAMSJKHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H52O5/c1-17(8-9-21(32)26(4,5)35)18-10-11-28(7)24-19(31)14-20-25(2,3)22(33)15-23(34)30(20)16-29(24,30)13-12-27(18,28)6/h17-24,31-35H,8-16H2,1-7H3.
What are the key properties of 15-(5,6-dihydroxy-6-methylheptan-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-4,6,10-triol?
15-(5,6-dihydroxy-6-methylheptan-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-4,6,10-triol has a molecular weight of 492.74 g/mol, XLogP of 4.28, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(5,6-dihydroxy-6-methylheptan-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-4,6,10-triol is sourced from PubChem (CID 162992108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).