2-ethyl-2-(3-methylbut-2-enyl)hex-3-en-1-ol;undec-2-en-1-ol

C24H46O2 — CID 173096541

IUPAC2-ethyl-2-(3-methylbut-2-enyl)hex-3-en-1-ol;undec-2-en-1-ol
SMILESCCC=CC(CC)(CO)CC=C(C)C.CCCCCCCCC=CCO
InChIInChI=1S/C13H24O.C11H22O/c1-5-7-9-13(6-2,11-14)10-8-12(3)4;1-2-3-4-5-6-7-8-9-10-11-12/h7-9,14H,5-6,10-11H2,1-4H3;9-10,12H,2-8,11H2,1H3
InChIKeyDLGMEZWLOUXPCH-UHFFFAOYSA-N
MW366.63 g/mol
LogP6.98
Rot. Bonds14

About 2-ethyl-2-(3-methylbut-2-enyl)hex-3-en-1-ol;undec-2-en-1-ol

2-ethyl-2-(3-methylbut-2-enyl)hex-3-en-1-ol;undec-2-en-1-ol (PubChem CID 173096541) has the molecular formula C24H46O2 and a molecular weight of 366.63 g/mol. Its IUPAC name is 2-ethyl-2-(3-methylbut-2-enyl)hex-3-en-1-ol;undec-2-en-1-ol.

Molecular Properties

Compound Name2-ethyl-2-(3-methylbut-2-enyl)hex-3-en-1-ol;undec-2-en-1-ol
PubChem CID173096541
Molecular FormulaC24H46O2
Molecular Weight366.63 g/mol
Exact Mass366.35
IUPAC Name2-ethyl-2-(3-methylbut-2-enyl)hex-3-en-1-ol;undec-2-en-1-ol
SMILESCCC=CC(CC)(CO)CC=C(C)C.CCCCCCCCC=CCO
InChIInChI=1S/C13H24O.C11H22O/c1-5-7-9-13(6-2,11-14)10-8-12(3)4;1-2-3-4-5-6-7-8-9-10-11-12/h7-9,14H,5-6,10-11H2,1-4H3;9-10,12H,2-8,11H2,1H3
InChIKeyDLGMEZWLOUXPCH-UHFFFAOYSA-N
XLogP6.98
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.63
LogP ≤ 56.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-nonadec-2-en-1-ol
CID 10869774
(11Z)-icosa-2,11-dien-1-ol
CID 173009253
(E)-undec-2-en-1-ol
CID 5365004
(2E,6E,10E)-tricosa-2,6,10-trien-1-ol
CID 11461788
(2E,13Z)-octadeca-2,13-dien-1-ol
CID 5283306
octadeca-2,13-dien-1-ol
CID 543270
acetic acid;(Z)-octadec-2-en-1-ol
CID 175144339
(E)-nonacos-3-ene
CID 22172230
(3Z,11Z)-heptadeca-3,11-diene
CID 91750518
octacos-3-ene
CID 54171253
(Z)-tridec-3-ene
CID 5362711
(E)-octadec-3-ene
CID 5365984

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(3-methylbut-2-enyl)hex-3-en-1-ol;undec-2-en-1-ol?
The IUPAC name of 2-ethyl-2-(3-methylbut-2-enyl)hex-3-en-1-ol;undec-2-en-1-ol (CID 173096541) is 2-ethyl-2-(3-methylbut-2-enyl)hex-3-en-1-ol;undec-2-en-1-ol.
What is the SMILES notation for 2-ethyl-2-(3-methylbut-2-enyl)hex-3-en-1-ol;undec-2-en-1-ol?
The canonical SMILES for 2-ethyl-2-(3-methylbut-2-enyl)hex-3-en-1-ol;undec-2-en-1-ol is CCC=CC(CC)(CO)CC=C(C)C.CCCCCCCCC=CCO.
What is the InChIKey of 2-ethyl-2-(3-methylbut-2-enyl)hex-3-en-1-ol;undec-2-en-1-ol?
The InChIKey is DLGMEZWLOUXPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O.C11H22O/c1-5-7-9-13(6-2,11-14)10-8-12(3)4;1-2-3-4-5-6-7-8-9-10-11-12/h7-9,14H,5-6,10-11H2,1-4H3;9-10,12H,2-8,11H2,1H3.
What are the key properties of 2-ethyl-2-(3-methylbut-2-enyl)hex-3-en-1-ol;undec-2-en-1-ol?
2-ethyl-2-(3-methylbut-2-enyl)hex-3-en-1-ol;undec-2-en-1-ol has a molecular weight of 366.63 g/mol, XLogP of 6.98, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(3-methylbut-2-enyl)hex-3-en-1-ol;undec-2-en-1-ol is sourced from PubChem (CID 173096541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).