6-methyl-2-prop-2-ynylhept-4-en-1-ol

C11H18O — CID 71375574

IUPAC6-methyl-2-prop-2-ynylhept-4-en-1-ol
SMILESC#CCC(CO)CC=CC(C)C
InChIInChI=1S/C11H18O/c1-4-6-11(9-12)8-5-7-10(2)3/h1,5,7,10-12H,6,8-9H2,2-3H3
InChIKeyHEUVDGMVKFNMMO-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.22
Rot. Bonds5

About 6-methyl-2-prop-2-ynylhept-4-en-1-ol

6-methyl-2-prop-2-ynylhept-4-en-1-ol (PubChem CID 71375574) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 6-methyl-2-prop-2-ynylhept-4-en-1-ol.

Molecular Properties

Compound Name6-methyl-2-prop-2-ynylhept-4-en-1-ol
PubChem CID71375574
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name6-methyl-2-prop-2-ynylhept-4-en-1-ol
SMILESC#CCC(CO)CC=CC(C)C
InChIInChI=1S/C11H18O/c1-4-6-11(9-12)8-5-7-10(2)3/h1,5,7,10-12H,6,8-9H2,2-3H3
InChIKeyHEUVDGMVKFNMMO-UHFFFAOYSA-N
XLogP2.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-prop-2-ynylhept-4-en-1-ol?
The IUPAC name of 6-methyl-2-prop-2-ynylhept-4-en-1-ol (CID 71375574) is 6-methyl-2-prop-2-ynylhept-4-en-1-ol.
What is the SMILES notation for 6-methyl-2-prop-2-ynylhept-4-en-1-ol?
The canonical SMILES for 6-methyl-2-prop-2-ynylhept-4-en-1-ol is C#CCC(CO)CC=CC(C)C.
What is the InChIKey of 6-methyl-2-prop-2-ynylhept-4-en-1-ol?
The InChIKey is HEUVDGMVKFNMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-4-6-11(9-12)8-5-7-10(2)3/h1,5,7,10-12H,6,8-9H2,2-3H3.
What are the key properties of 6-methyl-2-prop-2-ynylhept-4-en-1-ol?
6-methyl-2-prop-2-ynylhept-4-en-1-ol has a molecular weight of 166.26 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-prop-2-ynylhept-4-en-1-ol is sourced from PubChem (CID 71375574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).