(3S,4Z,6S,9R)-2,2,5,9-tetramethyl-1,3,6,7,8,9-hexahydrocyclopenta[8]annulene-3,6-diol

C15H24O2 — CID 73347658

IUPAC(3S,4Z,6S,9R)-2,2,5,9-tetramethyl-1,3,6,7,8,9-hexahydrocyclopenta[8]annulene-3,6-diol
SMILESC/C1=C/C2=C(CC(C)(C)[C@@H]2O)[C@H](C)CC[C@@H]1O
InChIInChI=1S/C15H24O2/c1-9-5-6-13(16)10(2)7-11-12(9)8-15(3,4)14(11)17/h7,9,13-14,16-17H,5-6,8H2,1-4H3/b10-7-/t9-,13+,14-/m1/s1
InChIKeyIHFBKYWCINTNIX-QPAIKPDPSA-N
MW236.35 g/mol
LogP2.81
Rot. Bonds

About (3S,4Z,6S,9R)-2,2,5,9-tetramethyl-1,3,6,7,8,9-hexahydrocyclopenta[8]annulene-3,6-diol

(3S,4Z,6S,9R)-2,2,5,9-tetramethyl-1,3,6,7,8,9-hexahydrocyclopenta[8]annulene-3,6-diol (PubChem CID 73347658) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (3S,4Z,6S,9R)-2,2,5,9-tetramethyl-1,3,6,7,8,9-hexahydrocyclopenta[8]annulene-3,6-diol.

Molecular Properties

Compound Name(3S,4Z,6S,9R)-2,2,5,9-tetramethyl-1,3,6,7,8,9-hexahydrocyclopenta[8]annulene-3,6-diol
PubChem CID73347658
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(3S,4Z,6S,9R)-2,2,5,9-tetramethyl-1,3,6,7,8,9-hexahydrocyclopenta[8]annulene-3,6-diol
SMILESC/C1=C/C2=C(CC(C)(C)[C@@H]2O)[C@H](C)CC[C@@H]1O
InChIInChI=1S/C15H24O2/c1-9-5-6-13(16)10(2)7-11-12(9)8-15(3,4)14(11)17/h7,9,13-14,16-17H,5-6,8H2,1-4H3/b10-7-/t9-,13+,14-/m1/s1
InChIKeyIHFBKYWCINTNIX-QPAIKPDPSA-N
XLogP2.81
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S,4Z,6S,9R)-2,2,5,9-tetramethyl-1,3,6,7,8,9-hexahydrocyclopenta[8]annulene-3,6-diol 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 (3S,4Z,6S,9R)-2,2,5,9-tetramethyl-1,3,6,7,8,9-hexahydrocyclopenta[8]annulene-3,6-diol?
The IUPAC name of (3S,4Z,6S,9R)-2,2,5,9-tetramethyl-1,3,6,7,8,9-hexahydrocyclopenta[8]annulene-3,6-diol (CID 73347658) is (3S,4Z,6S,9R)-2,2,5,9-tetramethyl-1,3,6,7,8,9-hexahydrocyclopenta[8]annulene-3,6-diol.
What is the SMILES notation for (3S,4Z,6S,9R)-2,2,5,9-tetramethyl-1,3,6,7,8,9-hexahydrocyclopenta[8]annulene-3,6-diol?
The canonical SMILES for (3S,4Z,6S,9R)-2,2,5,9-tetramethyl-1,3,6,7,8,9-hexahydrocyclopenta[8]annulene-3,6-diol is C/C1=C/C2=C(CC(C)(C)[C@@H]2O)[C@H](C)CC[C@@H]1O.
What is the InChIKey of (3S,4Z,6S,9R)-2,2,5,9-tetramethyl-1,3,6,7,8,9-hexahydrocyclopenta[8]annulene-3,6-diol?
The InChIKey is IHFBKYWCINTNIX-QPAIKPDPSA-N. The full InChI is InChI=1S/C15H24O2/c1-9-5-6-13(16)10(2)7-11-12(9)8-15(3,4)14(11)17/h7,9,13-14,16-17H,5-6,8H2,1-4H3/b10-7-/t9-,13+,14-/m1/s1.
What are the key properties of (3S,4Z,6S,9R)-2,2,5,9-tetramethyl-1,3,6,7,8,9-hexahydrocyclopenta[8]annulene-3,6-diol?
(3S,4Z,6S,9R)-2,2,5,9-tetramethyl-1,3,6,7,8,9-hexahydrocyclopenta[8]annulene-3,6-diol has a molecular weight of 236.35 g/mol, XLogP of 2.81, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4Z,6S,9R)-2,2,5,9-tetramethyl-1,3,6,7,8,9-hexahydrocyclopenta[8]annulene-3,6-diol is sourced from PubChem (CID 73347658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).