2-methylhepta-2,3-dien-1-ol

C8H14O — CID 12507019

IUPAC2-methylhepta-2,3-dien-1-ol
SMILESCCCC=C=C(C)CO
InChIInChI=1S/C8H14O/c1-3-4-5-6-8(2)7-9/h5,9H,3-4,7H2,1-2H3
InChIKeyBTJOJUXPOWBLCQ-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.88
Rot. Bonds3

About 2-methylhepta-2,3-dien-1-ol

2-methylhepta-2,3-dien-1-ol (PubChem CID 12507019) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-methylhepta-2,3-dien-1-ol.

Molecular Properties

Compound Name2-methylhepta-2,3-dien-1-ol
PubChem CID12507019
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name2-methylhepta-2,3-dien-1-ol
SMILESCCCC=C=C(C)CO
InChIInChI=1S/C8H14O/c1-3-4-5-6-8(2)7-9/h5,9H,3-4,7H2,1-2H3
InChIKeyBTJOJUXPOWBLCQ-UHFFFAOYSA-N
XLogP1.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylhepta-2,3-dien-1-ol?
The IUPAC name of 2-methylhepta-2,3-dien-1-ol (CID 12507019) is 2-methylhepta-2,3-dien-1-ol.
What is the SMILES notation for 2-methylhepta-2,3-dien-1-ol?
The canonical SMILES for 2-methylhepta-2,3-dien-1-ol is CCCC=C=C(C)CO.
What is the InChIKey of 2-methylhepta-2,3-dien-1-ol?
The InChIKey is BTJOJUXPOWBLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-3-4-5-6-8(2)7-9/h5,9H,3-4,7H2,1-2H3.
What are the key properties of 2-methylhepta-2,3-dien-1-ol?
2-methylhepta-2,3-dien-1-ol has a molecular weight of 126.20 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhepta-2,3-dien-1-ol is sourced from PubChem (CID 12507019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).