(4S)-4-methyloct-1-en-4-ol

C9H18O — CID 90689464

IUPAC(4S)-4-methyloct-1-en-4-ol
SMILESC=CC[C@@](C)(O)CCCC
InChIInChI=1S/C9H18O/c1-4-6-8-9(3,10)7-5-2/h5,10H,2,4,6-8H2,1,3H3/t9-/m1/s1
InChIKeyIHBUZZYYHXJOSE-SECBINFHSA-N
MW142.24 g/mol
LogP2.50
Rot. Bonds5

About (4S)-4-methyloct-1-en-4-ol

(4S)-4-methyloct-1-en-4-ol (PubChem CID 90689464) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (4S)-4-methyloct-1-en-4-ol.

Molecular Properties

Compound Name(4S)-4-methyloct-1-en-4-ol
PubChem CID90689464
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(4S)-4-methyloct-1-en-4-ol
SMILESC=CC[C@@](C)(O)CCCC
InChIInChI=1S/C9H18O/c1-4-6-8-9(3,10)7-5-2/h5,10H,2,4,6-8H2,1,3H3/t9-/m1/s1
InChIKeyIHBUZZYYHXJOSE-SECBINFHSA-N
XLogP2.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (4S)-4-methyloct-1-en-4-ol?
The IUPAC name of (4S)-4-methyloct-1-en-4-ol (CID 90689464) is (4S)-4-methyloct-1-en-4-ol.
What is the SMILES notation for (4S)-4-methyloct-1-en-4-ol?
The canonical SMILES for (4S)-4-methyloct-1-en-4-ol is C=CC[C@@](C)(O)CCCC.
What is the InChIKey of (4S)-4-methyloct-1-en-4-ol?
The InChIKey is IHBUZZYYHXJOSE-SECBINFHSA-N. The full InChI is InChI=1S/C9H18O/c1-4-6-8-9(3,10)7-5-2/h5,10H,2,4,6-8H2,1,3H3/t9-/m1/s1.
What are the key properties of (4S)-4-methyloct-1-en-4-ol?
(4S)-4-methyloct-1-en-4-ol has a molecular weight of 142.24 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyloct-1-en-4-ol is sourced from PubChem (CID 90689464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).