(2E,7E)-7-[chloro(ethyl)amino]-4-methyl-6-methylidenedeca-2,7-dien-3-ol

C14H24ClNO — CID 138725675

IUPAC(2E,7E)-7-[chloro(ethyl)amino]-4-methyl-6-methylidenedeca-2,7-dien-3-ol
SMILESC=C(CC(C)/C(O)=C\C)/C(=C\CC)N(Cl)CC
InChIInChI=1S/C14H24ClNO/c1-6-9-13(16(15)8-3)11(4)10-12(5)14(17)7-2/h7,9,12,17H,4,6,8,10H2,1-3,5H3/b13-9+,14-7+
InChIKeyOLGIQLQTDHWQQK-BTLVJFLNSA-N
MW257.80 g/mol
LogP4.80
Rot. Bonds7

About (2E,7E)-7-[chloro(ethyl)amino]-4-methyl-6-methylidenedeca-2,7-dien-3-ol

(2E,7E)-7-[chloro(ethyl)amino]-4-methyl-6-methylidenedeca-2,7-dien-3-ol (PubChem CID 138725675) has the molecular formula C14H24ClNO and a molecular weight of 257.80 g/mol. Its IUPAC name is (2E,7E)-7-[chloro(ethyl)amino]-4-methyl-6-methylidenedeca-2,7-dien-3-ol.

Molecular Properties

Compound Name(2E,7E)-7-[chloro(ethyl)amino]-4-methyl-6-methylidenedeca-2,7-dien-3-ol
PubChem CID138725675
Molecular FormulaC14H24ClNO
Molecular Weight257.80 g/mol
Exact Mass257.15
IUPAC Name(2E,7E)-7-[chloro(ethyl)amino]-4-methyl-6-methylidenedeca-2,7-dien-3-ol
SMILESC=C(CC(C)/C(O)=C\C)/C(=C\CC)N(Cl)CC
InChIInChI=1S/C14H24ClNO/c1-6-9-13(16(15)8-3)11(4)10-12(5)14(17)7-2/h7,9,12,17H,4,6,8,10H2,1-3,5H3/b13-9+,14-7+
InChIKeyOLGIQLQTDHWQQK-BTLVJFLNSA-N
XLogP4.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.80
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,7E)-7-[chloro(ethyl)amino]-4-methyl-6-methylidenedeca-2,7-dien-3-ol?
The IUPAC name of (2E,7E)-7-[chloro(ethyl)amino]-4-methyl-6-methylidenedeca-2,7-dien-3-ol (CID 138725675) is (2E,7E)-7-[chloro(ethyl)amino]-4-methyl-6-methylidenedeca-2,7-dien-3-ol.
What is the SMILES notation for (2E,7E)-7-[chloro(ethyl)amino]-4-methyl-6-methylidenedeca-2,7-dien-3-ol?
The canonical SMILES for (2E,7E)-7-[chloro(ethyl)amino]-4-methyl-6-methylidenedeca-2,7-dien-3-ol is C=C(CC(C)/C(O)=C\C)/C(=C\CC)N(Cl)CC.
What is the InChIKey of (2E,7E)-7-[chloro(ethyl)amino]-4-methyl-6-methylidenedeca-2,7-dien-3-ol?
The InChIKey is OLGIQLQTDHWQQK-BTLVJFLNSA-N. The full InChI is InChI=1S/C14H24ClNO/c1-6-9-13(16(15)8-3)11(4)10-12(5)14(17)7-2/h7,9,12,17H,4,6,8,10H2,1-3,5H3/b13-9+,14-7+.
What are the key properties of (2E,7E)-7-[chloro(ethyl)amino]-4-methyl-6-methylidenedeca-2,7-dien-3-ol?
(2E,7E)-7-[chloro(ethyl)amino]-4-methyl-6-methylidenedeca-2,7-dien-3-ol has a molecular weight of 257.80 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,7E)-7-[chloro(ethyl)amino]-4-methyl-6-methylidenedeca-2,7-dien-3-ol is sourced from PubChem (CID 138725675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).