5-methyl-2-propan-2-ylhex-1-en-1-ol

C10H20O — CID 164522577

IUPAC5-methyl-2-propan-2-ylhex-1-en-1-ol
SMILESCC(C)CCC(=CO)C(C)C
InChIInChI=1S/C10H20O/c1-8(2)5-6-10(7-11)9(3)4/h7-9,11H,5-6H2,1-4H3
InChIKeyVGEZFHHUWHSPRW-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.52
Rot. Bonds4

About 5-methyl-2-propan-2-ylhex-1-en-1-ol

5-methyl-2-propan-2-ylhex-1-en-1-ol (PubChem CID 164522577) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 5-methyl-2-propan-2-ylhex-1-en-1-ol.

Molecular Properties

Compound Name5-methyl-2-propan-2-ylhex-1-en-1-ol
PubChem CID164522577
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name5-methyl-2-propan-2-ylhex-1-en-1-ol
SMILESCC(C)CCC(=CO)C(C)C
InChIInChI=1S/C10H20O/c1-8(2)5-6-10(7-11)9(3)4/h7-9,11H,5-6H2,1-4H3
InChIKeyVGEZFHHUWHSPRW-UHFFFAOYSA-N
XLogP3.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,7-dimethyl-4-propan-2-yloct-3-ene
CID 123373088
copper(1+);4-methylpentanoate
CID 159345928
2,8-dimethyl-5-methylidenenonane
CID 545812
2,8-dimethyl-5-(3-methylbutyl)non-4-ene
CID 19035560
N,2,6-trimethylheptan-3-imine
CID 59889276
(Z)-6,7-dimethyl-3-propan-2-yloct-2-ene
CID 58663285
(Z,4Z)-4-ethylidene-7-methyloct-2-ene
CID 142183675
5-methylhex-1-en-2-ylphosphane
CID 143105119
propan-2-yl 5-methyl-2-oxohexanoate
CID 18370667
(4E)-4-(hydroxymethylidene)-2,6,9-trimethyldecane-3,5-dione
CID 137483513
magnesium;hydride;4-methylpentanoic acid
CID 174689724
(3Z,5E)-6,9-dimethyl-3-propan-2-yldeca-1,3,5-triene
CID 176935122

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-ylhex-1-en-1-ol?
The IUPAC name of 5-methyl-2-propan-2-ylhex-1-en-1-ol (CID 164522577) is 5-methyl-2-propan-2-ylhex-1-en-1-ol.
What is the SMILES notation for 5-methyl-2-propan-2-ylhex-1-en-1-ol?
The canonical SMILES for 5-methyl-2-propan-2-ylhex-1-en-1-ol is CC(C)CCC(=CO)C(C)C.
What is the InChIKey of 5-methyl-2-propan-2-ylhex-1-en-1-ol?
The InChIKey is VGEZFHHUWHSPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-8(2)5-6-10(7-11)9(3)4/h7-9,11H,5-6H2,1-4H3.
What are the key properties of 5-methyl-2-propan-2-ylhex-1-en-1-ol?
5-methyl-2-propan-2-ylhex-1-en-1-ol has a molecular weight of 156.27 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-ylhex-1-en-1-ol is sourced from PubChem (CID 164522577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).