(3R)-3-(chloromethyl)hept-1-ene

C8H15Cl — CID 131139415

IUPAC(3R)-3-(chloromethyl)hept-1-ene
SMILESC=C[C@H](CCl)CCCC
InChIInChI=1S/C8H15Cl/c1-3-5-6-8(4-2)7-9/h4,8H,2-3,5-7H2,1H3/t8-/m0/s1
InChIKeyGIPDUAKOTGWPOB-QMMMGPOBSA-N
MW146.66 g/mol
LogP3.22
Rot. Bonds5

About (3R)-3-(chloromethyl)hept-1-ene

(3R)-3-(chloromethyl)hept-1-ene (PubChem CID 131139415) has the molecular formula C8H15Cl and a molecular weight of 146.66 g/mol. Its IUPAC name is (3R)-3-(chloromethyl)hept-1-ene.

Molecular Properties

Compound Name(3R)-3-(chloromethyl)hept-1-ene
PubChem CID131139415
Molecular FormulaC8H15Cl
Molecular Weight146.66 g/mol
Exact Mass146.09
IUPAC Name(3R)-3-(chloromethyl)hept-1-ene
SMILESC=C[C@H](CCl)CCCC
InChIInChI=1S/C8H15Cl/c1-3-5-6-8(4-2)7-9/h4,8H,2-3,5-7H2,1H3/t8-/m0/s1
InChIKeyGIPDUAKOTGWPOB-QMMMGPOBSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.66
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(chloromethyl)hept-1-ene?
The IUPAC name of (3R)-3-(chloromethyl)hept-1-ene (CID 131139415) is (3R)-3-(chloromethyl)hept-1-ene.
What is the SMILES notation for (3R)-3-(chloromethyl)hept-1-ene?
The canonical SMILES for (3R)-3-(chloromethyl)hept-1-ene is C=C[C@H](CCl)CCCC.
What is the InChIKey of (3R)-3-(chloromethyl)hept-1-ene?
The InChIKey is GIPDUAKOTGWPOB-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H15Cl/c1-3-5-6-8(4-2)7-9/h4,8H,2-3,5-7H2,1H3/t8-/m0/s1.
What are the key properties of (3R)-3-(chloromethyl)hept-1-ene?
(3R)-3-(chloromethyl)hept-1-ene has a molecular weight of 146.66 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(chloromethyl)hept-1-ene is sourced from PubChem (CID 131139415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).