4-isocyanato-6-prop-2-enyldec-1-ene

C14H23NO — CID 175360314

IUPAC4-isocyanato-6-prop-2-enyldec-1-ene
SMILESC=CCC(CCCC)CC(CC=C)N=C=O
InChIInChI=1S/C14H23NO/c1-4-7-10-13(8-5-2)11-14(9-6-3)15-12-16/h5-6,13-14H,2-4,7-11H2,1H3
InChIKeyZTYRRHYEQUFRSL-UHFFFAOYSA-N
MW221.34 g/mol
LogP4.04
Rot. Bonds10

About 4-isocyanato-6-prop-2-enyldec-1-ene

4-isocyanato-6-prop-2-enyldec-1-ene (PubChem CID 175360314) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-isocyanato-6-prop-2-enyldec-1-ene.

Molecular Properties

Compound Name4-isocyanato-6-prop-2-enyldec-1-ene
PubChem CID175360314
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-isocyanato-6-prop-2-enyldec-1-ene
SMILESC=CCC(CCCC)CC(CC=C)N=C=O
InChIInChI=1S/C14H23NO/c1-4-7-10-13(8-5-2)11-14(9-6-3)15-12-16/h5-6,13-14H,2-4,7-11H2,1H3
InChIKeyZTYRRHYEQUFRSL-UHFFFAOYSA-N
XLogP4.04
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-isocyanatononane
CID 153403979
(4S)-4-ethyloct-1-ene
CID 129373406
17-prop-2-enyltetratriacontane
CID 173452630
4-prop-2-enylpentadec-1-ene
CID 54427529
4-isocyanato-5-(2-isocyanatopent-4-enoxy)pent-1-ene
CID 141143085
2-isocyanatoheptyl prop-2-enoate
CID 137478345
4-isocyanatoheptane
CID 22102269
prop-2-enyl 2-isocyanatohexanoate
CID 22163533
5-prop-2-enylnonan-2-ol
CID 91603961
4-ethyloct-1-ene;hexanedioic acid
CID 175450276
6-ethyldec-1-en-4-amine
CID 116660443
(7S)-1,7-diisocyanatoundecane
CID 89383286

Frequently Asked Questions

What is the IUPAC name of 4-isocyanato-6-prop-2-enyldec-1-ene?
The IUPAC name of 4-isocyanato-6-prop-2-enyldec-1-ene (CID 175360314) is 4-isocyanato-6-prop-2-enyldec-1-ene.
What is the SMILES notation for 4-isocyanato-6-prop-2-enyldec-1-ene?
The canonical SMILES for 4-isocyanato-6-prop-2-enyldec-1-ene is C=CCC(CCCC)CC(CC=C)N=C=O.
What is the InChIKey of 4-isocyanato-6-prop-2-enyldec-1-ene?
The InChIKey is ZTYRRHYEQUFRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-7-10-13(8-5-2)11-14(9-6-3)15-12-16/h5-6,13-14H,2-4,7-11H2,1H3.
What are the key properties of 4-isocyanato-6-prop-2-enyldec-1-ene?
4-isocyanato-6-prop-2-enyldec-1-ene has a molecular weight of 221.34 g/mol, XLogP of 4.04, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-isocyanato-6-prop-2-enyldec-1-ene is sourced from PubChem (CID 175360314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).