(4S,5S)-5-methylhept-1-en-4-ol

C8H16O — CID 14396924

IUPAC(4S,5S)-5-methylhept-1-en-4-ol
SMILESC=CC[C@H](O)[C@@H](C)CC
InChIInChI=1S/C8H16O/c1-4-6-8(9)7(3)5-2/h4,7-9H,1,5-6H2,2-3H3/t7-,8-/m0/s1
InChIKeyMQPXBYVFQKTJJZ-YUMQZZPRSA-N
MW128.21 g/mol
LogP1.97
Rot. Bonds4

About (4S,5S)-5-methylhept-1-en-4-ol

(4S,5S)-5-methylhept-1-en-4-ol (PubChem CID 14396924) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is (4S,5S)-5-methylhept-1-en-4-ol.

Molecular Properties

Compound Name(4S,5S)-5-methylhept-1-en-4-ol
PubChem CID14396924
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name(4S,5S)-5-methylhept-1-en-4-ol
SMILESC=CC[C@H](O)[C@@H](C)CC
InChIInChI=1S/C8H16O/c1-4-6-8(9)7(3)5-2/h4,7-9H,1,5-6H2,2-3H3/t7-,8-/m0/s1
InChIKeyMQPXBYVFQKTJJZ-YUMQZZPRSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 51.97
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,5S)-5-methylhept-1-en-4-ol?
The IUPAC name of (4S,5S)-5-methylhept-1-en-4-ol (CID 14396924) is (4S,5S)-5-methylhept-1-en-4-ol.
What is the SMILES notation for (4S,5S)-5-methylhept-1-en-4-ol?
The canonical SMILES for (4S,5S)-5-methylhept-1-en-4-ol is C=CC[C@H](O)[C@@H](C)CC.
What is the InChIKey of (4S,5S)-5-methylhept-1-en-4-ol?
The InChIKey is MQPXBYVFQKTJJZ-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H16O/c1-4-6-8(9)7(3)5-2/h4,7-9H,1,5-6H2,2-3H3/t7-,8-/m0/s1.
What are the key properties of (4S,5S)-5-methylhept-1-en-4-ol?
(4S,5S)-5-methylhept-1-en-4-ol has a molecular weight of 128.21 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-methylhept-1-en-4-ol is sourced from PubChem (CID 14396924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).