(1S,7R)-4-chloro-2-methylbicyclo[5.1.0]oct-3-en-1-ol

C9H13ClO — CID 135191708

IUPAC(1S,7R)-4-chloro-2-methylbicyclo[5.1.0]oct-3-en-1-ol
SMILESCC1C=C(Cl)CC[C@@H]2C[C@@]12O
InChIInChI=1S/C9H13ClO/c1-6-4-8(10)3-2-7-5-9(6,7)11/h4,6-7,11H,2-3,5H2,1H3/t6?,7-,9-/m1/s1
InChIKeyGGJFWQYBGBFOLP-QIEYWLDOSA-N
MW172.65 g/mol
LogP2.29
Rot. Bonds

About (1S,7R)-4-chloro-2-methylbicyclo[5.1.0]oct-3-en-1-ol

(1S,7R)-4-chloro-2-methylbicyclo[5.1.0]oct-3-en-1-ol (PubChem CID 135191708) has the molecular formula C9H13ClO and a molecular weight of 172.65 g/mol. Its IUPAC name is (1S,7R)-4-chloro-2-methylbicyclo[5.1.0]oct-3-en-1-ol.

Molecular Properties

Compound Name(1S,7R)-4-chloro-2-methylbicyclo[5.1.0]oct-3-en-1-ol
PubChem CID135191708
Molecular FormulaC9H13ClO
Molecular Weight172.65 g/mol
Exact Mass172.07
IUPAC Name(1S,7R)-4-chloro-2-methylbicyclo[5.1.0]oct-3-en-1-ol
SMILESCC1C=C(Cl)CC[C@@H]2C[C@@]12O
InChIInChI=1S/C9H13ClO/c1-6-4-8(10)3-2-7-5-9(6,7)11/h4,6-7,11H,2-3,5H2,1H3/t6?,7-,9-/m1/s1
InChIKeyGGJFWQYBGBFOLP-QIEYWLDOSA-N
XLogP2.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.65
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,7R)-4-chloro-2-methylbicyclo[5.1.0]oct-3-en-1-ol?
The IUPAC name of (1S,7R)-4-chloro-2-methylbicyclo[5.1.0]oct-3-en-1-ol (CID 135191708) is (1S,7R)-4-chloro-2-methylbicyclo[5.1.0]oct-3-en-1-ol.
What is the SMILES notation for (1S,7R)-4-chloro-2-methylbicyclo[5.1.0]oct-3-en-1-ol?
The canonical SMILES for (1S,7R)-4-chloro-2-methylbicyclo[5.1.0]oct-3-en-1-ol is CC1C=C(Cl)CC[C@@H]2C[C@@]12O.
What is the InChIKey of (1S,7R)-4-chloro-2-methylbicyclo[5.1.0]oct-3-en-1-ol?
The InChIKey is GGJFWQYBGBFOLP-QIEYWLDOSA-N. The full InChI is InChI=1S/C9H13ClO/c1-6-4-8(10)3-2-7-5-9(6,7)11/h4,6-7,11H,2-3,5H2,1H3/t6?,7-,9-/m1/s1.
What are the key properties of (1S,7R)-4-chloro-2-methylbicyclo[5.1.0]oct-3-en-1-ol?
(1S,7R)-4-chloro-2-methylbicyclo[5.1.0]oct-3-en-1-ol has a molecular weight of 172.65 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7R)-4-chloro-2-methylbicyclo[5.1.0]oct-3-en-1-ol is sourced from PubChem (CID 135191708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).