(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-ol

C9H14O — CID 101193017

IUPAC(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-ol
SMILESCC1(C)[C@H]2CC=C(O)[C@@H]1C2
InChIInChI=1S/C9H14O/c1-9(2)6-3-4-8(10)7(9)5-6/h4,6-7,10H,3,5H2,1-2H3/t6-,7-/m0/s1
InChIKeyQZDXFNCHIDDCAX-BQBZGAKWSA-N
MW138.21 g/mol
LogP2.49
Rot. Bonds

About (1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-ol

(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-ol (PubChem CID 101193017) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-ol.

Molecular Properties

Compound Name(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-ol
PubChem CID101193017
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-ol
SMILESCC1(C)[C@H]2CC=C(O)[C@@H]1C2
InChIInChI=1S/C9H14O/c1-9(2)6-3-4-8(10)7(9)5-6/h4,6-7,10H,3,5H2,1-2H3/t6-,7-/m0/s1
InChIKeyQZDXFNCHIDDCAX-BQBZGAKWSA-N
XLogP2.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-ol?
The IUPAC name of (1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-ol (CID 101193017) is (1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-ol.
What is the SMILES notation for (1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-ol?
The canonical SMILES for (1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-ol is CC1(C)[C@H]2CC=C(O)[C@@H]1C2.
What is the InChIKey of (1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-ol?
The InChIKey is QZDXFNCHIDDCAX-BQBZGAKWSA-N. The full InChI is InChI=1S/C9H14O/c1-9(2)6-3-4-8(10)7(9)5-6/h4,6-7,10H,3,5H2,1-2H3/t6-,7-/m0/s1.
What are the key properties of (1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-ol?
(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-ol has a molecular weight of 138.21 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-ol is sourced from PubChem (CID 101193017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).