(1R,4R,9R)-10,10-dimethyltricyclo[7.1.1.02,7]undec-2(7)-en-4-ol

C13H20O — CID 12729630

IUPAC(1R,4R,9R)-10,10-dimethyltricyclo[7.1.1.02,7]undec-2(7)-en-4-ol
SMILESCC1(C)[C@H]2CC3=C(C[C@H](O)CC3)[C@@H]1C2
InChIInChI=1S/C13H20O/c1-13(2)9-5-8-3-4-10(14)7-11(8)12(13)6-9/h9-10,12,14H,3-7H2,1-2H3/t9-,10+,12-/m0/s1
InChIKeyNCCAWLQFTLGMPU-UMNHJUIQSA-N
MW192.30 g/mol
LogP2.89
Rot. Bonds

About (1R,4R,9R)-10,10-dimethyltricyclo[7.1.1.02,7]undec-2(7)-en-4-ol

(1R,4R,9R)-10,10-dimethyltricyclo[7.1.1.02,7]undec-2(7)-en-4-ol (PubChem CID 12729630) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is (1R,4R,9R)-10,10-dimethyltricyclo[7.1.1.02,7]undec-2(7)-en-4-ol.

Molecular Properties

Compound Name(1R,4R,9R)-10,10-dimethyltricyclo[7.1.1.02,7]undec-2(7)-en-4-ol
PubChem CID12729630
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name(1R,4R,9R)-10,10-dimethyltricyclo[7.1.1.02,7]undec-2(7)-en-4-ol
SMILESCC1(C)[C@H]2CC3=C(C[C@H](O)CC3)[C@@H]1C2
InChIInChI=1S/C13H20O/c1-13(2)9-5-8-3-4-10(14)7-11(8)12(13)6-9/h9-10,12,14H,3-7H2,1-2H3/t9-,10+,12-/m0/s1
InChIKeyNCCAWLQFTLGMPU-UMNHJUIQSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,4R,9R)-10,10-dimethyltricyclo[7.1.1.02,7]undec-2(7)-en-4-ol?
The IUPAC name of (1R,4R,9R)-10,10-dimethyltricyclo[7.1.1.02,7]undec-2(7)-en-4-ol (CID 12729630) is (1R,4R,9R)-10,10-dimethyltricyclo[7.1.1.02,7]undec-2(7)-en-4-ol.
What is the SMILES notation for (1R,4R,9R)-10,10-dimethyltricyclo[7.1.1.02,7]undec-2(7)-en-4-ol?
The canonical SMILES for (1R,4R,9R)-10,10-dimethyltricyclo[7.1.1.02,7]undec-2(7)-en-4-ol is CC1(C)[C@H]2CC3=C(C[C@H](O)CC3)[C@@H]1C2.
What is the InChIKey of (1R,4R,9R)-10,10-dimethyltricyclo[7.1.1.02,7]undec-2(7)-en-4-ol?
The InChIKey is NCCAWLQFTLGMPU-UMNHJUIQSA-N. The full InChI is InChI=1S/C13H20O/c1-13(2)9-5-8-3-4-10(14)7-11(8)12(13)6-9/h9-10,12,14H,3-7H2,1-2H3/t9-,10+,12-/m0/s1.
What are the key properties of (1R,4R,9R)-10,10-dimethyltricyclo[7.1.1.02,7]undec-2(7)-en-4-ol?
(1R,4R,9R)-10,10-dimethyltricyclo[7.1.1.02,7]undec-2(7)-en-4-ol has a molecular weight of 192.30 g/mol, XLogP of 2.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,9R)-10,10-dimethyltricyclo[7.1.1.02,7]undec-2(7)-en-4-ol is sourced from PubChem (CID 12729630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).