(3S)-3-methylpent-1-yne

C6H10 — CID 11159288

IUPAC(3S)-3-methylpent-1-yne
SMILESC#C[C@@H](C)CC
InChIInChI=1S/C6H10/c1-4-6(3)5-2/h1,6H,5H2,2-3H3/t6-/m1/s1
InChIKeyPLHJCCHSCFNKCC-ZCFIWIBFSA-N
MW82.15 g/mol
LogP1.67
Rot. Bonds1

About (3S)-3-methylpent-1-yne

(3S)-3-methylpent-1-yne (PubChem CID 11159288) has the molecular formula C6H10 and a molecular weight of 82.15 g/mol. Its IUPAC name is (3S)-3-methylpent-1-yne.

Molecular Properties

Compound Name(3S)-3-methylpent-1-yne
PubChem CID11159288
Molecular FormulaC6H10
Molecular Weight82.15 g/mol
Exact Mass82.08
IUPAC Name(3S)-3-methylpent-1-yne
SMILESC#C[C@@H](C)CC
InChIInChI=1S/C6H10/c1-4-6(3)5-2/h1,6H,5H2,2-3H3/t6-/m1/s1
InChIKeyPLHJCCHSCFNKCC-ZCFIWIBFSA-N
XLogP1.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.15
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methylpent-1-yne?
The IUPAC name of (3S)-3-methylpent-1-yne (CID 11159288) is (3S)-3-methylpent-1-yne.
What is the SMILES notation for (3S)-3-methylpent-1-yne?
The canonical SMILES for (3S)-3-methylpent-1-yne is C#C[C@@H](C)CC.
What is the InChIKey of (3S)-3-methylpent-1-yne?
The InChIKey is PLHJCCHSCFNKCC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H10/c1-4-6(3)5-2/h1,6H,5H2,2-3H3/t6-/m1/s1.
What are the key properties of (3S)-3-methylpent-1-yne?
(3S)-3-methylpent-1-yne has a molecular weight of 82.15 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methylpent-1-yne is sourced from PubChem (CID 11159288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).