3-(chloromethyl)-2,5-dimethylhept-3-ene

C10H19Cl — CID 115278020

IUPAC3-(chloromethyl)-2,5-dimethylhept-3-ene
SMILESCCC(C)C=C(CCl)C(C)C
InChIInChI=1S/C10H19Cl/c1-5-9(4)6-10(7-11)8(2)3/h6,8-9H,5,7H2,1-4H3
InChIKeyNZQBTQPDVBRPBS-UHFFFAOYSA-N
MW174.71 g/mol
LogP3.85
Rot. Bonds4

About 3-(chloromethyl)-2,5-dimethylhept-3-ene

3-(chloromethyl)-2,5-dimethylhept-3-ene (PubChem CID 115278020) has the molecular formula C10H19Cl and a molecular weight of 174.71 g/mol. Its IUPAC name is 3-(chloromethyl)-2,5-dimethylhept-3-ene.

Molecular Properties

Compound Name3-(chloromethyl)-2,5-dimethylhept-3-ene
PubChem CID115278020
Molecular FormulaC10H19Cl
Molecular Weight174.71 g/mol
Exact Mass174.12
IUPAC Name3-(chloromethyl)-2,5-dimethylhept-3-ene
SMILESCCC(C)C=C(CCl)C(C)C
InChIInChI=1S/C10H19Cl/c1-5-9(4)6-10(7-11)8(2)3/h6,8-9H,5,7H2,1-4H3
InChIKeyNZQBTQPDVBRPBS-UHFFFAOYSA-N
XLogP3.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.71
LogP ≤ 53.85
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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Related Compounds

(Z)-N,4-dimethyl-2-propan-2-ylhex-2-en-1-amine
CID 166998767
(4R)-2,4-dimethylhex-2-ene
CID 142611901
(Z)-4-methyl-2-propan-2-ylhex-2-enal
CID 18325953
(E,5S)-3,5-dimethylhept-3-ene
CID 25021557
(E)-2,4-dimethyl-N-propylhex-2-en-1-amine
CID 79340919
(E)-4-methyl-N-propan-2-ylhex-2-en-2-amine
CID 166949903
(NZ)-N-[(2S)-2-methylbutylidene]hydroxylamine
CID 71448984
[(Z)-1-dichloroboranyl-3-methylpent-1-enyl]-trimethylsilane
CID 177411385
[2-(chloromethyl)-3-methylbut-1-enyl]cyclopropane
CID 79334822
(E)-3-fluoro-5-methylhept-3-en-2-amine
CID 167092327
3,6-dimethyloct-4-ene
CID 73165576
N-[(E)-4-methylhex-2-en-2-yl]ethanimine
CID 90864591

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2,5-dimethylhept-3-ene?
The IUPAC name of 3-(chloromethyl)-2,5-dimethylhept-3-ene (CID 115278020) is 3-(chloromethyl)-2,5-dimethylhept-3-ene.
What is the SMILES notation for 3-(chloromethyl)-2,5-dimethylhept-3-ene?
The canonical SMILES for 3-(chloromethyl)-2,5-dimethylhept-3-ene is CCC(C)C=C(CCl)C(C)C.
What is the InChIKey of 3-(chloromethyl)-2,5-dimethylhept-3-ene?
The InChIKey is NZQBTQPDVBRPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19Cl/c1-5-9(4)6-10(7-11)8(2)3/h6,8-9H,5,7H2,1-4H3.
What are the key properties of 3-(chloromethyl)-2,5-dimethylhept-3-ene?
3-(chloromethyl)-2,5-dimethylhept-3-ene has a molecular weight of 174.71 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2,5-dimethylhept-3-ene is sourced from PubChem (CID 115278020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).