3-methylocta-5,6-dien-1-ol

C9H16O — CID 135059778

IUPAC3-methylocta-5,6-dien-1-ol
SMILESCC=C=CCC(C)CCO
InChIInChI=1S/C9H16O/c1-3-4-5-6-9(2)7-8-10/h3,5,9-10H,6-8H2,1-2H3
InChIKeyZUHTVRCVDQZLFT-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.13
Rot. Bonds4

About 3-methylocta-5,6-dien-1-ol

3-methylocta-5,6-dien-1-ol (PubChem CID 135059778) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-methylocta-5,6-dien-1-ol.

Molecular Properties

Compound Name3-methylocta-5,6-dien-1-ol
PubChem CID135059778
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name3-methylocta-5,6-dien-1-ol
SMILESCC=C=CCC(C)CCO
InChIInChI=1S/C9H16O/c1-3-4-5-6-9(2)7-8-10/h3,5,9-10H,6-8H2,1-2H3
InChIKeyZUHTVRCVDQZLFT-UHFFFAOYSA-N
XLogP2.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methylocta-5,6-dien-1-ol?
The IUPAC name of 3-methylocta-5,6-dien-1-ol (CID 135059778) is 3-methylocta-5,6-dien-1-ol.
What is the SMILES notation for 3-methylocta-5,6-dien-1-ol?
The canonical SMILES for 3-methylocta-5,6-dien-1-ol is CC=C=CCC(C)CCO.
What is the InChIKey of 3-methylocta-5,6-dien-1-ol?
The InChIKey is ZUHTVRCVDQZLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-3-4-5-6-9(2)7-8-10/h3,5,9-10H,6-8H2,1-2H3.
What are the key properties of 3-methylocta-5,6-dien-1-ol?
3-methylocta-5,6-dien-1-ol has a molecular weight of 140.23 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylocta-5,6-dien-1-ol is sourced from PubChem (CID 135059778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).