3-methyl-1-(3-methylpent-1-en-3-yloxy)pentan-3-ol

C12H24O2 — CID 89359695

IUPAC3-methyl-1-(3-methylpent-1-en-3-yloxy)pentan-3-ol
SMILESC=CC(C)(CC)OCCC(C)(O)CC
InChIInChI=1S/C12H24O2/c1-6-11(4,13)9-10-14-12(5,7-2)8-3/h7,13H,2,6,8-10H2,1,3-5H3
InChIKeyDWEDSZRQGKTGTA-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.91
Rot. Bonds7

About 3-methyl-1-(3-methylpent-1-en-3-yloxy)pentan-3-ol

3-methyl-1-(3-methylpent-1-en-3-yloxy)pentan-3-ol (PubChem CID 89359695) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 3-methyl-1-(3-methylpent-1-en-3-yloxy)pentan-3-ol.

Molecular Properties

Compound Name3-methyl-1-(3-methylpent-1-en-3-yloxy)pentan-3-ol
PubChem CID89359695
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name3-methyl-1-(3-methylpent-1-en-3-yloxy)pentan-3-ol
SMILESC=CC(C)(CC)OCCC(C)(O)CC
InChIInChI=1S/C12H24O2/c1-6-11(4,13)9-10-14-12(5,7-2)8-3/h7,13H,2,6,8-10H2,1,3-5H3
InChIKeyDWEDSZRQGKTGTA-UHFFFAOYSA-N
XLogP2.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methylpent-1-en-3-yloxy)pentan-3-ol?
The IUPAC name of 3-methyl-1-(3-methylpent-1-en-3-yloxy)pentan-3-ol (CID 89359695) is 3-methyl-1-(3-methylpent-1-en-3-yloxy)pentan-3-ol.
What is the SMILES notation for 3-methyl-1-(3-methylpent-1-en-3-yloxy)pentan-3-ol?
The canonical SMILES for 3-methyl-1-(3-methylpent-1-en-3-yloxy)pentan-3-ol is C=CC(C)(CC)OCCC(C)(O)CC.
What is the InChIKey of 3-methyl-1-(3-methylpent-1-en-3-yloxy)pentan-3-ol?
The InChIKey is DWEDSZRQGKTGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-6-11(4,13)9-10-14-12(5,7-2)8-3/h7,13H,2,6,8-10H2,1,3-5H3.
What are the key properties of 3-methyl-1-(3-methylpent-1-en-3-yloxy)pentan-3-ol?
3-methyl-1-(3-methylpent-1-en-3-yloxy)pentan-3-ol has a molecular weight of 200.32 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylpent-1-en-3-yloxy)pentan-3-ol is sourced from PubChem (CID 89359695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).