(Z,2S)-2-methylpent-3-en-1-ol

C6H12O — CID 101124729

IUPAC(Z,2S)-2-methylpent-3-en-1-ol
SMILESC/C=C\[C@H](C)CO
InChIInChI=1S/C6H12O/c1-3-4-6(2)5-7/h3-4,6-7H,5H2,1-2H3/b4-3-/t6-/m0/s1
InChIKeyITDXMLZSEZDMFN-SYDCGGLASA-N
MW100.16 g/mol
LogP1.19
Rot. Bonds2

About (Z,2S)-2-methylpent-3-en-1-ol

(Z,2S)-2-methylpent-3-en-1-ol (PubChem CID 101124729) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is (Z,2S)-2-methylpent-3-en-1-ol.

Molecular Properties

Compound Name(Z,2S)-2-methylpent-3-en-1-ol
PubChem CID101124729
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Name(Z,2S)-2-methylpent-3-en-1-ol
SMILESC/C=C\[C@H](C)CO
InChIInChI=1S/C6H12O/c1-3-4-6(2)5-7/h3-4,6-7H,5H2,1-2H3/b4-3-/t6-/m0/s1
InChIKeyITDXMLZSEZDMFN-SYDCGGLASA-N
XLogP1.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Hexenol
CID 5281167
trans-3-Hexen-1-ol
CID 5284503
4-Hepten-1-ol, (4Z)-
CID 5367536
3,6-Nonadien-1-ol, (3E,6Z)-
CID 44630408
3,6-Nonadien-1-ol
CID 42011
2-Methyl-3-buten-1-ol
CID 94292
3,6-Nonadien-1-ol, (3Z,6Z)-
CID 6434541
Hept-3-en-1-ol
CID 74363
3-Penten-1-ol
CID 69814
Hept-4-en-2-ol
CID 100886
(Z)-hex-4-en-1-ol
CID 5365589
(E)-4-Hexen-1-ol
CID 641248

Frequently Asked Questions

What is the IUPAC name of (Z,2S)-2-methylpent-3-en-1-ol?
The IUPAC name of (Z,2S)-2-methylpent-3-en-1-ol (CID 101124729) is (Z,2S)-2-methylpent-3-en-1-ol.
What is the SMILES notation for (Z,2S)-2-methylpent-3-en-1-ol?
The canonical SMILES for (Z,2S)-2-methylpent-3-en-1-ol is C/C=C\[C@H](C)CO.
What is the InChIKey of (Z,2S)-2-methylpent-3-en-1-ol?
The InChIKey is ITDXMLZSEZDMFN-SYDCGGLASA-N. The full InChI is InChI=1S/C6H12O/c1-3-4-6(2)5-7/h3-4,6-7H,5H2,1-2H3/b4-3-/t6-/m0/s1.
What are the key properties of (Z,2S)-2-methylpent-3-en-1-ol?
(Z,2S)-2-methylpent-3-en-1-ol has a molecular weight of 100.16 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S)-2-methylpent-3-en-1-ol is sourced from PubChem (CID 101124729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).