(Z)-1-(6-chlorohexa-2,3-dienoxy)undec-3-ene

C17H29ClO — CID 88698377

IUPAC(Z)-1-(6-chlorohexa-2,3-dienoxy)undec-3-ene
SMILESCCCCCCC/C=C\CCOCC=C=CCCCl
InChIInChI=1S/C17H29ClO/c1-2-3-4-5-6-7-8-10-13-16-19-17-14-11-9-12-15-18/h8-10,14H,2-7,12-13,15-17H2,1H3/b10-8-
InChIKeyUTZABLUJOISBNL-NTMALXAHSA-N
MW284.87 g/mol
LogP5.65
Rot. Bonds13

About (Z)-1-(6-chlorohexa-2,3-dienoxy)undec-3-ene

(Z)-1-(6-chlorohexa-2,3-dienoxy)undec-3-ene (PubChem CID 88698377) has the molecular formula C17H29ClO and a molecular weight of 284.87 g/mol. Its IUPAC name is (Z)-1-(6-chlorohexa-2,3-dienoxy)undec-3-ene.

Molecular Properties

Compound Name(Z)-1-(6-chlorohexa-2,3-dienoxy)undec-3-ene
PubChem CID88698377
Molecular FormulaC17H29ClO
Molecular Weight284.87 g/mol
Exact Mass284.19
IUPAC Name(Z)-1-(6-chlorohexa-2,3-dienoxy)undec-3-ene
SMILESCCCCCCC/C=C\CCOCC=C=CCCCl
InChIInChI=1S/C17H29ClO/c1-2-3-4-5-6-7-8-10-13-16-19-17-14-11-9-12-15-18/h8-10,14H,2-7,12-13,15-17H2,1H3/b10-8-
InChIKeyUTZABLUJOISBNL-NTMALXAHSA-N
XLogP5.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.87
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

1-(7-chlorohepta-2,3-dienoxy)trideca-3,6-diene
CID 54221453
1-(7-chlorohepta-3,4-dienoxy)tetradeca-2,5-diene
CID 54296188
6-non-3-enoxyhexa-3,4-dienoic acid
CID 54452548
7-undec-2-enoxyhepta-3,4-dienoic acid
CID 54353826
heptatriaconta-15,18,19-triene
CID 57100861
1-chlorotridec-4-ene
CID 54390291
(E)-1-chloroheptadec-7-ene
CID 5364485
1-chlorooctadec-9-ene
CID 558046
pentacosa-12,13-diene
CID 174365678
1-undec-4-enoxyundec-4-ene
CID 91358832
(E)-1-(butoxymethoxy)-6-chlorohex-3-ene
CID 163205166
octadeca-5,6-diene
CID 141110817

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(6-chlorohexa-2,3-dienoxy)undec-3-ene?
The IUPAC name of (Z)-1-(6-chlorohexa-2,3-dienoxy)undec-3-ene (CID 88698377) is (Z)-1-(6-chlorohexa-2,3-dienoxy)undec-3-ene.
What is the SMILES notation for (Z)-1-(6-chlorohexa-2,3-dienoxy)undec-3-ene?
The canonical SMILES for (Z)-1-(6-chlorohexa-2,3-dienoxy)undec-3-ene is CCCCCCC/C=C\CCOCC=C=CCCCl.
What is the InChIKey of (Z)-1-(6-chlorohexa-2,3-dienoxy)undec-3-ene?
The InChIKey is UTZABLUJOISBNL-NTMALXAHSA-N. The full InChI is InChI=1S/C17H29ClO/c1-2-3-4-5-6-7-8-10-13-16-19-17-14-11-9-12-15-18/h8-10,14H,2-7,12-13,15-17H2,1H3/b10-8-.
What are the key properties of (Z)-1-(6-chlorohexa-2,3-dienoxy)undec-3-ene?
(Z)-1-(6-chlorohexa-2,3-dienoxy)undec-3-ene has a molecular weight of 284.87 g/mol, XLogP of 5.65, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(6-chlorohexa-2,3-dienoxy)undec-3-ene is sourced from PubChem (CID 88698377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).