(1R,2S,4S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.01,5]undec-5-en-4-ol

C15H24O — CID 25137910

IUPAC(1R,2S,4S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.01,5]undec-5-en-4-ol
SMILESCC1=C2[C@@H](O)C[C@H](C)[C@]23CC[C@@H](C3)C1(C)C
InChIInChI=1S/C15H24O/c1-9-7-12(16)13-10(2)14(3,4)11-5-6-15(9,13)8-11/h9,11-12,16H,5-8H2,1-4H3/t9-,11-,12-,15+/m0/s1
InChIKeyZRRTYQUKAJCICD-AVNXNWIJSA-N
MW220.36 g/mol
LogP3.53
Rot. Bonds

About (1R,2S,4S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.01,5]undec-5-en-4-ol

(1R,2S,4S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.01,5]undec-5-en-4-ol (PubChem CID 25137910) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1R,2S,4S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.01,5]undec-5-en-4-ol.

Molecular Properties

Compound Name(1R,2S,4S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.01,5]undec-5-en-4-ol
PubChem CID25137910
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1R,2S,4S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.01,5]undec-5-en-4-ol
SMILESCC1=C2[C@@H](O)C[C@H](C)[C@]23CC[C@@H](C3)C1(C)C
InChIInChI=1S/C15H24O/c1-9-7-12(16)13-10(2)14(3,4)11-5-6-15(9,13)8-11/h9,11-12,16H,5-8H2,1-4H3/t9-,11-,12-,15+/m0/s1
InChIKeyZRRTYQUKAJCICD-AVNXNWIJSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,2S,4S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.01,5]undec-5-en-4-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 (1R,2S,4S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.01,5]undec-5-en-4-ol?
The IUPAC name of (1R,2S,4S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.01,5]undec-5-en-4-ol (CID 25137910) is (1R,2S,4S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.01,5]undec-5-en-4-ol.
What is the SMILES notation for (1R,2S,4S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.01,5]undec-5-en-4-ol?
The canonical SMILES for (1R,2S,4S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.01,5]undec-5-en-4-ol is CC1=C2[C@@H](O)C[C@H](C)[C@]23CC[C@@H](C3)C1(C)C.
What is the InChIKey of (1R,2S,4S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.01,5]undec-5-en-4-ol?
The InChIKey is ZRRTYQUKAJCICD-AVNXNWIJSA-N. The full InChI is InChI=1S/C15H24O/c1-9-7-12(16)13-10(2)14(3,4)11-5-6-15(9,13)8-11/h9,11-12,16H,5-8H2,1-4H3/t9-,11-,12-,15+/m0/s1.
What are the key properties of (1R,2S,4S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.01,5]undec-5-en-4-ol?
(1R,2S,4S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.01,5]undec-5-en-4-ol has a molecular weight of 220.36 g/mol, XLogP of 3.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.01,5]undec-5-en-4-ol is sourced from PubChem (CID 25137910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).