(1S,6S)-6-methyl-3-propan-2-ylbicyclo[4.1.0]heptan-3-ol

C11H20O — CID 67160199

IUPAC(1S,6S)-6-methyl-3-propan-2-ylbicyclo[4.1.0]heptan-3-ol
SMILESCC(C)C1(O)CC[C@@]2(C)C[C@H]2C1
InChIInChI=1S/C11H20O/c1-8(2)11(12)5-4-10(3)6-9(10)7-11/h8-9,12H,4-7H2,1-3H3/t9-,10-,11?/m0/s1
InChIKeyCKCAENWSEVFQAX-QRHSGQBVSA-N
MW168.28 g/mol
LogP2.58
Rot. Bonds1

About (1S,6S)-6-methyl-3-propan-2-ylbicyclo[4.1.0]heptan-3-ol

(1S,6S)-6-methyl-3-propan-2-ylbicyclo[4.1.0]heptan-3-ol (PubChem CID 67160199) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (1S,6S)-6-methyl-3-propan-2-ylbicyclo[4.1.0]heptan-3-ol.

Molecular Properties

Compound Name(1S,6S)-6-methyl-3-propan-2-ylbicyclo[4.1.0]heptan-3-ol
PubChem CID67160199
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(1S,6S)-6-methyl-3-propan-2-ylbicyclo[4.1.0]heptan-3-ol
SMILESCC(C)C1(O)CC[C@@]2(C)C[C@H]2C1
InChIInChI=1S/C11H20O/c1-8(2)11(12)5-4-10(3)6-9(10)7-11/h8-9,12H,4-7H2,1-3H3/t9-,10-,11?/m0/s1
InChIKeyCKCAENWSEVFQAX-QRHSGQBVSA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,6S)-6-methyl-3-propan-2-ylbicyclo[4.1.0]heptan-3-ol?
The IUPAC name of (1S,6S)-6-methyl-3-propan-2-ylbicyclo[4.1.0]heptan-3-ol (CID 67160199) is (1S,6S)-6-methyl-3-propan-2-ylbicyclo[4.1.0]heptan-3-ol.
What is the SMILES notation for (1S,6S)-6-methyl-3-propan-2-ylbicyclo[4.1.0]heptan-3-ol?
The canonical SMILES for (1S,6S)-6-methyl-3-propan-2-ylbicyclo[4.1.0]heptan-3-ol is CC(C)C1(O)CC[C@@]2(C)C[C@H]2C1.
What is the InChIKey of (1S,6S)-6-methyl-3-propan-2-ylbicyclo[4.1.0]heptan-3-ol?
The InChIKey is CKCAENWSEVFQAX-QRHSGQBVSA-N. The full InChI is InChI=1S/C11H20O/c1-8(2)11(12)5-4-10(3)6-9(10)7-11/h8-9,12H,4-7H2,1-3H3/t9-,10-,11?/m0/s1.
What are the key properties of (1S,6S)-6-methyl-3-propan-2-ylbicyclo[4.1.0]heptan-3-ol?
(1S,6S)-6-methyl-3-propan-2-ylbicyclo[4.1.0]heptan-3-ol has a molecular weight of 168.28 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S)-6-methyl-3-propan-2-ylbicyclo[4.1.0]heptan-3-ol is sourced from PubChem (CID 67160199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).