(E)-4-chloroundec-2-ene

C11H21Cl — CID 88753287

IUPAC(E)-4-chloroundec-2-ene
SMILESC/C=C/C(Cl)CCCCCCC
InChIInChI=1S/C11H21Cl/c1-3-5-6-7-8-10-11(12)9-4-2/h4,9,11H,3,5-8,10H2,1-2H3/b9-4+
InChIKeyVQXBBKLCFQKWST-RUDMXATFSA-N
MW188.74 g/mol
LogP4.53
Rot. Bonds7

About (E)-4-chloroundec-2-ene

(E)-4-chloroundec-2-ene (PubChem CID 88753287) has the molecular formula C11H21Cl and a molecular weight of 188.74 g/mol. Its IUPAC name is (E)-4-chloroundec-2-ene.

Molecular Properties

Compound Name(E)-4-chloroundec-2-ene
PubChem CID88753287
Molecular FormulaC11H21Cl
Molecular Weight188.74 g/mol
Exact Mass188.13
IUPAC Name(E)-4-chloroundec-2-ene
SMILESC/C=C/C(Cl)CCCCCCC
InChIInChI=1S/C11H21Cl/c1-3-5-6-7-8-10-11(12)9-4-2/h4,9,11H,3,5-8,10H2,1-2H3/b9-4+
InChIKeyVQXBBKLCFQKWST-RUDMXATFSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.74
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-chlorohept-2-ene
CID 88578806
(E)-5,8-dichlorododec-6-ene
CID 87576727
(E)-4-methylicos-2-ene
CID 166512402
5-prop-1-enyltridecane
CID 57064303
3-chloronon-1-ene
CID 3021823
6-[(E)-prop-1-enyl]undecane
CID 134941128
(Z)-undec-2-en-4-ol
CID 14320443
(E)-5-chlorododec-6-ene
CID 88752571
1-chlorodocosan-1-amine
CID 174773966
1,1-dichloroheptane
CID 13184
17-chlorotritriacontane
CID 87852962
15-chlorodocosa-2,13-dienoic acid
CID 173031119

Frequently Asked Questions

What is the IUPAC name of (E)-4-chloroundec-2-ene?
The IUPAC name of (E)-4-chloroundec-2-ene (CID 88753287) is (E)-4-chloroundec-2-ene.
What is the SMILES notation for (E)-4-chloroundec-2-ene?
The canonical SMILES for (E)-4-chloroundec-2-ene is C/C=C/C(Cl)CCCCCCC.
What is the InChIKey of (E)-4-chloroundec-2-ene?
The InChIKey is VQXBBKLCFQKWST-RUDMXATFSA-N. The full InChI is InChI=1S/C11H21Cl/c1-3-5-6-7-8-10-11(12)9-4-2/h4,9,11H,3,5-8,10H2,1-2H3/b9-4+.
What are the key properties of (E)-4-chloroundec-2-ene?
(E)-4-chloroundec-2-ene has a molecular weight of 188.74 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-chloroundec-2-ene is sourced from PubChem (CID 88753287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).