11-chloroundec-1-ene

C11H21Cl — CID 543805

IUPAC11-chloroundec-1-ene
SMILESC=CCCCCCCCCCCl
InChIInChI=1S/C11H21Cl/c1-2-3-4-5-6-7-8-9-10-11-12/h2H,1,3-11H2
InChIKeyPSEVKFKRYVAODC-UHFFFAOYSA-N
MW188.74 g/mol
LogP4.53
Rot. Bonds9

About 11-chloroundec-1-ene

11-chloroundec-1-ene (PubChem CID 543805) has the molecular formula C11H21Cl and a molecular weight of 188.74 g/mol. Its IUPAC name is 11-chloroundec-1-ene.

Molecular Properties

Compound Name11-chloroundec-1-ene
PubChem CID543805
Molecular FormulaC11H21Cl
Molecular Weight188.74 g/mol
Exact Mass188.13
IUPAC Name11-chloroundec-1-ene
SMILESC=CCCCCCCCCCCl
InChIInChI=1S/C11H21Cl/c1-2-3-4-5-6-7-8-9-10-11-12/h2H,1,3-11H2
InChIKeyPSEVKFKRYVAODC-UHFFFAOYSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
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

3-Dodecene, 12-chloro-, (3E)-
CID 20561605
12-Chlorododec-3-ene
CID 54202562
3-Dodecene, 12-chloro-, (3Z)-
CID 88512409
1-Nonene, 9-chloro-
CID 70102
8-Chloro-1-octene
CID 11344097
10-Chlorodec-1-ene
CID 11745139
cis-1-Chloro-1-nonene
CID 11309678
trans-1-Chloro-1-nonene
CID 12178628
Dodecene, 1-chloro-
CID 6438318
5-Dodecene, 12-chloro-, (5Z)-
CID 6450294
7-Chloro-1-heptene
CID 12955924
3-Chloronon-1-ene
CID 3021823

Frequently Asked Questions

What is the IUPAC name of 11-chloroundec-1-ene?
The IUPAC name of 11-chloroundec-1-ene (CID 543805) is 11-chloroundec-1-ene.
What is the SMILES notation for 11-chloroundec-1-ene?
The canonical SMILES for 11-chloroundec-1-ene is C=CCCCCCCCCCCl.
What is the InChIKey of 11-chloroundec-1-ene?
The InChIKey is PSEVKFKRYVAODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Cl/c1-2-3-4-5-6-7-8-9-10-11-12/h2H,1,3-11H2.
What are the key properties of 11-chloroundec-1-ene?
11-chloroundec-1-ene has a molecular weight of 188.74 g/mol, XLogP of 4.53, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloroundec-1-ene is sourced from PubChem (CID 543805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).