(E)-5-chlorododec-6-ene

C12H23Cl — CID 88752571

IUPAC(E)-5-chlorododec-6-ene
SMILESCCCCC/C=C/C(Cl)CCCC
InChIInChI=1S/C12H23Cl/c1-3-5-7-8-9-11-12(13)10-6-4-2/h9,11-12H,3-8,10H2,1-2H3/b11-9+
InChIKeyNHNOVVKNDWDEHZ-PKNBQFBNSA-N
MW202.77 g/mol
LogP4.92
Rot. Bonds8

About (E)-5-chlorododec-6-ene

(E)-5-chlorododec-6-ene (PubChem CID 88752571) has the molecular formula C12H23Cl and a molecular weight of 202.77 g/mol. Its IUPAC name is (E)-5-chlorododec-6-ene.

Molecular Properties

Compound Name(E)-5-chlorododec-6-ene
PubChem CID88752571
Molecular FormulaC12H23Cl
Molecular Weight202.77 g/mol
Exact Mass202.15
IUPAC Name(E)-5-chlorododec-6-ene
SMILESCCCCC/C=C/C(Cl)CCCC
InChIInChI=1S/C12H23Cl/c1-3-5-7-8-9-11-12(13)10-6-4-2/h9,11-12H,3-8,10H2,1-2H3/b11-9+
InChIKeyNHNOVVKNDWDEHZ-PKNBQFBNSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.77
LogP ≤ 54.92
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

(E)-5,8-dichlorododec-6-ene
CID 87576727
(E)-15-chlorodocos-13-enoic acid
CID 141253308
15-chlorodocosa-2,13-dienoic acid
CID 173031119
(E)-8-chlorooctadec-9-enoic acid
CID 87265265
2-chlorodec-3-ene
CID 71337420
5-methyldodec-6-ene
CID 86165480
(E)-6-butylhexacos-7-ene
CID 173194372
5-methylpentadec-6-ene
CID 123440014
tetrakis[(E)-hept-1-enyl]phosphanium
CID 118306753
1,1-dichlorohept-2-ene
CID 87443085
(E)-4-chloroundec-2-ene
CID 88753287
9,10-dioctyloctadeca-7,11-diene
CID 173120989

Frequently Asked Questions

What is the IUPAC name of (E)-5-chlorododec-6-ene?
The IUPAC name of (E)-5-chlorododec-6-ene (CID 88752571) is (E)-5-chlorododec-6-ene.
What is the SMILES notation for (E)-5-chlorododec-6-ene?
The canonical SMILES for (E)-5-chlorododec-6-ene is CCCCC/C=C/C(Cl)CCCC.
What is the InChIKey of (E)-5-chlorododec-6-ene?
The InChIKey is NHNOVVKNDWDEHZ-PKNBQFBNSA-N. The full InChI is InChI=1S/C12H23Cl/c1-3-5-7-8-9-11-12(13)10-6-4-2/h9,11-12H,3-8,10H2,1-2H3/b11-9+.
What are the key properties of (E)-5-chlorododec-6-ene?
(E)-5-chlorododec-6-ene has a molecular weight of 202.77 g/mol, XLogP of 4.92, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-chlorododec-6-ene is sourced from PubChem (CID 88752571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).