2-propan-2-yl-2-prop-2-enylpent-4-en-1-ol

C11H20O — CID 23384785

IUPAC2-propan-2-yl-2-prop-2-enylpent-4-en-1-ol
SMILESC=CCC(CO)(CC=C)C(C)C
InChIInChI=1S/C11H20O/c1-5-7-11(9-12,8-6-2)10(3)4/h5-6,10,12H,1-2,7-9H2,3-4H3
InChIKeyUHYOYVXWHNDSNH-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.77
Rot. Bonds6

About 2-propan-2-yl-2-prop-2-enylpent-4-en-1-ol

2-propan-2-yl-2-prop-2-enylpent-4-en-1-ol (PubChem CID 23384785) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-propan-2-yl-2-prop-2-enylpent-4-en-1-ol.

Molecular Properties

Compound Name2-propan-2-yl-2-prop-2-enylpent-4-en-1-ol
PubChem CID23384785
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2-propan-2-yl-2-prop-2-enylpent-4-en-1-ol
SMILESC=CCC(CO)(CC=C)C(C)C
InChIInChI=1S/C11H20O/c1-5-7-11(9-12,8-6-2)10(3)4/h5-6,10,12H,1-2,7-9H2,3-4H3
InChIKeyUHYOYVXWHNDSNH-UHFFFAOYSA-N
XLogP2.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-Dimethylhex-5-en-1-ol
CID 10240821
4-Methyl-6-hepten-3-ol
CID 547700
3-Methyl-6-hepten-1-ol
CID 543353
2-Ethylhex-5-en-1-ol
CID 10510876
4,4-Dimethyl-5-hexen-1-ol
CID 12511056
4,4-Bis(hydroxymethyl)-1,6-heptadiene
CID 13157912
(2R)-2-propylpent-4-en-1-ol
CID 102443891
2-Ethyl-2-methylpent-4-en-1-ol
CID 126972063
(2R)-2-ethylhex-5-en-1-ol
CID 11094637
2-Propan-2-yl-2-prop-2-enylpropane-1,3-diol
CID 13157915
2,4-Dimethylhept-6-en-3-ol
CID 14963142
2,4,4-Trimethyl-3-hydroxymethyl-1-pentene
CID 20394916

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-2-prop-2-enylpent-4-en-1-ol?
The IUPAC name of 2-propan-2-yl-2-prop-2-enylpent-4-en-1-ol (CID 23384785) is 2-propan-2-yl-2-prop-2-enylpent-4-en-1-ol.
What is the SMILES notation for 2-propan-2-yl-2-prop-2-enylpent-4-en-1-ol?
The canonical SMILES for 2-propan-2-yl-2-prop-2-enylpent-4-en-1-ol is C=CCC(CO)(CC=C)C(C)C.
What is the InChIKey of 2-propan-2-yl-2-prop-2-enylpent-4-en-1-ol?
The InChIKey is UHYOYVXWHNDSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-5-7-11(9-12,8-6-2)10(3)4/h5-6,10,12H,1-2,7-9H2,3-4H3.
What are the key properties of 2-propan-2-yl-2-prop-2-enylpent-4-en-1-ol?
2-propan-2-yl-2-prop-2-enylpent-4-en-1-ol has a molecular weight of 168.28 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-2-prop-2-enylpent-4-en-1-ol is sourced from PubChem (CID 23384785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).