7-chloro-4-(7-chlorohept-1-en-4-yloxy)hept-1-ene

C14H24Cl2O — CID 87687085

IUPAC7-chloro-4-(7-chlorohept-1-en-4-yloxy)hept-1-ene
SMILESC=CCC(CCCCl)OC(CC=C)CCCCl
InChIInChI=1S/C14H24Cl2O/c1-3-7-13(9-5-11-15)17-14(8-4-2)10-6-12-16/h3-4,13-14H,1-2,5-12H2
InChIKeyVIEMCPQFDLGMDA-UHFFFAOYSA-N
MW279.25 g/mol
LogP4.93
Rot. Bonds12

About 7-chloro-4-(7-chlorohept-1-en-4-yloxy)hept-1-ene

7-chloro-4-(7-chlorohept-1-en-4-yloxy)hept-1-ene (PubChem CID 87687085) has the molecular formula C14H24Cl2O and a molecular weight of 279.25 g/mol. Its IUPAC name is 7-chloro-4-(7-chlorohept-1-en-4-yloxy)hept-1-ene.

Molecular Properties

Compound Name7-chloro-4-(7-chlorohept-1-en-4-yloxy)hept-1-ene
PubChem CID87687085
Molecular FormulaC14H24Cl2O
Molecular Weight279.25 g/mol
Exact Mass278.12
IUPAC Name7-chloro-4-(7-chlorohept-1-en-4-yloxy)hept-1-ene
SMILESC=CCC(CCCCl)OC(CC=C)CCCCl
InChIInChI=1S/C14H24Cl2O/c1-3-7-13(9-5-11-15)17-14(8-4-2)10-6-12-16/h3-4,13-14H,1-2,5-12H2
InChIKeyVIEMCPQFDLGMDA-UHFFFAOYSA-N
XLogP4.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

4-dodeca-1,11-dien-4-yloxydodeca-1,11-diene
CID 88718946
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CID 23055063
3-(1-hydroxyhex-5-en-3-yloxy)hex-5-en-1-ol
CID 139513174
4-oct-1-en-4-ylperoxyoct-1-ene
CID 87401104
trimethyl-[(1R)-1-[(4S)-non-1-en-4-yl]oxyhexyl]silane
CID 10827976
4-methoxynon-1-ene
CID 13284925
7-hydroxyhept-1-en-4-yl carbamate
CID 175099859
(2S,6R)-6-methoxynon-8-en-2-ol
CID 46186048
4-ethenoxyundec-1-ene
CID 101420327
oct-1-en-4-yl formate
CID 87501677
(4S)-1-chloro-4-methoxyheptane
CID 97035520
trimethyl(octa-1,7-dien-4-yloxy)silane
CID 18541557

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(7-chlorohept-1-en-4-yloxy)hept-1-ene?
The IUPAC name of 7-chloro-4-(7-chlorohept-1-en-4-yloxy)hept-1-ene (CID 87687085) is 7-chloro-4-(7-chlorohept-1-en-4-yloxy)hept-1-ene.
What is the SMILES notation for 7-chloro-4-(7-chlorohept-1-en-4-yloxy)hept-1-ene?
The canonical SMILES for 7-chloro-4-(7-chlorohept-1-en-4-yloxy)hept-1-ene is C=CCC(CCCCl)OC(CC=C)CCCCl.
What is the InChIKey of 7-chloro-4-(7-chlorohept-1-en-4-yloxy)hept-1-ene?
The InChIKey is VIEMCPQFDLGMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24Cl2O/c1-3-7-13(9-5-11-15)17-14(8-4-2)10-6-12-16/h3-4,13-14H,1-2,5-12H2.
What are the key properties of 7-chloro-4-(7-chlorohept-1-en-4-yloxy)hept-1-ene?
7-chloro-4-(7-chlorohept-1-en-4-yloxy)hept-1-ene has a molecular weight of 279.25 g/mol, XLogP of 4.93, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(7-chlorohept-1-en-4-yloxy)hept-1-ene is sourced from PubChem (CID 87687085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).