[5-chloro-4-(1-chloroethylidene)-3-hydroxyoct-5-en-2-yl] carbamate

C11H17Cl2NO3 — CID 123375723

IUPAC[5-chloro-4-(1-chloroethylidene)-3-hydroxyoct-5-en-2-yl] carbamate
SMILESCCC=C(Cl)C(=C(C)Cl)C(O)C(C)OC(N)=O
InChIInChI=1S/C11H17Cl2NO3/c1-4-5-8(13)9(6(2)12)10(15)7(3)17-11(14)16/h5,7,10,15H,4H2,1-3H3,(H2,14,16)
InChIKeyDIKLTGILROOXJG-UHFFFAOYSA-N
MW282.17 g/mol
LogP2.88
Rot. Bonds5

About [5-chloro-4-(1-chloroethylidene)-3-hydroxyoct-5-en-2-yl] carbamate

[5-chloro-4-(1-chloroethylidene)-3-hydroxyoct-5-en-2-yl] carbamate (PubChem CID 123375723) has the molecular formula C11H17Cl2NO3 and a molecular weight of 282.17 g/mol. Its IUPAC name is [5-chloro-4-(1-chloroethylidene)-3-hydroxyoct-5-en-2-yl] carbamate.

Molecular Properties

Compound Name[5-chloro-4-(1-chloroethylidene)-3-hydroxyoct-5-en-2-yl] carbamate
PubChem CID123375723
Molecular FormulaC11H17Cl2NO3
Molecular Weight282.17 g/mol
Exact Mass281.06
IUPAC Name[5-chloro-4-(1-chloroethylidene)-3-hydroxyoct-5-en-2-yl] carbamate
SMILESCCC=C(Cl)C(=C(C)Cl)C(O)C(C)OC(N)=O
InChIInChI=1S/C11H17Cl2NO3/c1-4-5-8(13)9(6(2)12)10(15)7(3)17-11(14)16/h5,7,10,15H,4H2,1-3H3,(H2,14,16)
InChIKeyDIKLTGILROOXJG-UHFFFAOYSA-N
XLogP2.88
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-hydroxybutan-2-yl carbamate
CID 20700654
[6-chloro-5-(1-chloroethylidene)-4-methoxyoct-6-en-3-yl] carbamate
CID 123846000
(4-amino-3-hydroxy-4-iminobutan-2-yl) carbamate
CID 175155261
(3-carbamoyloxy-4-methylpentan-2-yl) carbamate
CID 140688379
(3Z,8Z)-4,8-dichloroundeca-3,8-diene-5,6,7-trione
CID 88840980
4-(1-chloroethylidene)hept-5-en-2-yl carbamate
CID 123928018
3-methoxybutan-2-yl carbamate
CID 88788189
ethyl acetate;2-methyl-3-(3-methylbutan-2-yloxy)butane
CID 87296519
3-hydroxyhex-5-yn-2-yl carbamate
CID 175152503
1-hydroxypropyl carbamate;prop-2-enoic acid
CID 87449677
(1-acetyloxy-2-ethylpent-2-enyl) acetate
CID 123713583
2-methylpent-2-enamide
CID 66895957

Frequently Asked Questions

What is the IUPAC name of [5-chloro-4-(1-chloroethylidene)-3-hydroxyoct-5-en-2-yl] carbamate?
The IUPAC name of [5-chloro-4-(1-chloroethylidene)-3-hydroxyoct-5-en-2-yl] carbamate (CID 123375723) is [5-chloro-4-(1-chloroethylidene)-3-hydroxyoct-5-en-2-yl] carbamate.
What is the SMILES notation for [5-chloro-4-(1-chloroethylidene)-3-hydroxyoct-5-en-2-yl] carbamate?
The canonical SMILES for [5-chloro-4-(1-chloroethylidene)-3-hydroxyoct-5-en-2-yl] carbamate is CCC=C(Cl)C(=C(C)Cl)C(O)C(C)OC(N)=O.
What is the InChIKey of [5-chloro-4-(1-chloroethylidene)-3-hydroxyoct-5-en-2-yl] carbamate?
The InChIKey is DIKLTGILROOXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17Cl2NO3/c1-4-5-8(13)9(6(2)12)10(15)7(3)17-11(14)16/h5,7,10,15H,4H2,1-3H3,(H2,14,16).
What are the key properties of [5-chloro-4-(1-chloroethylidene)-3-hydroxyoct-5-en-2-yl] carbamate?
[5-chloro-4-(1-chloroethylidene)-3-hydroxyoct-5-en-2-yl] carbamate has a molecular weight of 282.17 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-4-(1-chloroethylidene)-3-hydroxyoct-5-en-2-yl] carbamate is sourced from PubChem (CID 123375723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).