5-chloro-4-methylideneoct-1-ene

C9H15Cl — CID 57069417

IUPAC5-chloro-4-methylideneoct-1-ene
SMILESC=CCC(=C)C(Cl)CCC
InChIInChI=1S/C9H15Cl/c1-4-6-8(3)9(10)7-5-2/h4,9H,1,3,5-7H2,2H3
InChIKeyYTDFKYUYVFJUPH-UHFFFAOYSA-N
MW158.67 g/mol
LogP3.53
Rot. Bonds5

About 5-chloro-4-methylideneoct-1-ene

5-chloro-4-methylideneoct-1-ene (PubChem CID 57069417) has the molecular formula C9H15Cl and a molecular weight of 158.67 g/mol. Its IUPAC name is 5-chloro-4-methylideneoct-1-ene.

Molecular Properties

Compound Name5-chloro-4-methylideneoct-1-ene
PubChem CID57069417
Molecular FormulaC9H15Cl
Molecular Weight158.67 g/mol
Exact Mass158.09
IUPAC Name5-chloro-4-methylideneoct-1-ene
SMILESC=CCC(=C)C(Cl)CCC
InChIInChI=1S/C9H15Cl/c1-4-6-8(3)9(10)7-5-2/h4,9H,1,3,5-7H2,2H3
InChIKeyYTDFKYUYVFJUPH-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.67
LogP ≤ 53.53
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

3-chloro-2-(chloromethyl)hex-1-ene
CID 24972007
4-chloro-5-methylideneoctane
CID 56986746
4-chloro-2-methyl-3-methylideneheptane
CID 56988326
3-methylidenehex-5-en-2-amine
CID 173274265
(4R)-4-chloro-2-iodohept-1-ene
CID 154992040
(4Z)-4-ethylidenehept-1-ene
CID 12841273
(4Z)-2,6-dimethylnona-1,4-diene
CID 142337517
(3S,4R)-3-(2-chloroethyl)hept-1-en-4-ol
CID 134883041
N-methyl-5-methylidene-N-prop-2-enyloctan-4-amine
CID 141178163
2-propylpent-4-en-1-ol
CID 15525342
(2R)-2-propylpent-4-en-1-ol
CID 102443891
(3R)-3-[(1S,3S)-3-ethyl-2,2-dimethylcyclopropyl]-4-methylidenehept-6-en-2-one
CID 143362675

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methylideneoct-1-ene?
The IUPAC name of 5-chloro-4-methylideneoct-1-ene (CID 57069417) is 5-chloro-4-methylideneoct-1-ene.
What is the SMILES notation for 5-chloro-4-methylideneoct-1-ene?
The canonical SMILES for 5-chloro-4-methylideneoct-1-ene is C=CCC(=C)C(Cl)CCC.
What is the InChIKey of 5-chloro-4-methylideneoct-1-ene?
The InChIKey is YTDFKYUYVFJUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl/c1-4-6-8(3)9(10)7-5-2/h4,9H,1,3,5-7H2,2H3.
What are the key properties of 5-chloro-4-methylideneoct-1-ene?
5-chloro-4-methylideneoct-1-ene has a molecular weight of 158.67 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methylideneoct-1-ene is sourced from PubChem (CID 57069417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).