methanol;(2S)-2-methylpent-4-en-1-ol

C7H16O2 — CID 143099829

IUPACmethanol;(2S)-2-methylpent-4-en-1-ol
SMILESC=CC[C@H](C)CO.CO
InChIInChI=1S/C6H12O.CH4O/c1-3-4-6(2)5-7;1-2/h3,6-7H,1,4-5H2,2H3;2H,1H3/t6-;/m0./s1
InChIKeyFIQIJHGWQOGVAA-RGMNGODLSA-N
MW132.20 g/mol
LogP0.80
Rot. Bonds3

About methanol;(2S)-2-methylpent-4-en-1-ol

methanol;(2S)-2-methylpent-4-en-1-ol (PubChem CID 143099829) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is methanol;(2S)-2-methylpent-4-en-1-ol.

Molecular Properties

Compound Namemethanol;(2S)-2-methylpent-4-en-1-ol
PubChem CID143099829
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Namemethanol;(2S)-2-methylpent-4-en-1-ol
SMILESC=CC[C@H](C)CO.CO
InChIInChI=1S/C6H12O.CH4O/c1-3-4-6(2)5-7;1-2/h3,6-7H,1,4-5H2,2H3;2H,1H3/t6-;/m0./s1
InChIKeyFIQIJHGWQOGVAA-RGMNGODLSA-N
XLogP0.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-methylpropane-1,3-diol
CID 87127502
(2R)-2-methylhex-5-ene-1,3-diol
CID 130652300
ethanol;4-methylpent-1-ene
CID 141289447
(4S)-5-iodo-4-methylpent-1-ene
CID 101059144
2-prop-2-enylpent-4-en-1-ol
CID 14895210
2,4-dimethylhept-6-enal
CID 14532516
4-methylhepta-1,6-diene-1,1-diamine
CID 88988242
sodium;hydride;4-methylhex-1-ene
CID 173048656
bis(but-2-enedioic acid);2-methylpropane-1,3-diol
CID 173234251
(4E)-2,6-dimethylhepta-4,6-dien-1-ol
CID 130146963
2-methyl-3-(prop-2-enylamino)propan-1-ol
CID 65036515
methyl-bis(2-methylpent-4-enyl)silane
CID 123891649

Frequently Asked Questions

What is the IUPAC name of methanol;(2S)-2-methylpent-4-en-1-ol?
The IUPAC name of methanol;(2S)-2-methylpent-4-en-1-ol (CID 143099829) is methanol;(2S)-2-methylpent-4-en-1-ol.
What is the SMILES notation for methanol;(2S)-2-methylpent-4-en-1-ol?
The canonical SMILES for methanol;(2S)-2-methylpent-4-en-1-ol is C=CC[C@H](C)CO.CO.
What is the InChIKey of methanol;(2S)-2-methylpent-4-en-1-ol?
The InChIKey is FIQIJHGWQOGVAA-RGMNGODLSA-N. The full InChI is InChI=1S/C6H12O.CH4O/c1-3-4-6(2)5-7;1-2/h3,6-7H,1,4-5H2,2H3;2H,1H3/t6-;/m0./s1.
What are the key properties of methanol;(2S)-2-methylpent-4-en-1-ol?
methanol;(2S)-2-methylpent-4-en-1-ol has a molecular weight of 132.20 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;(2S)-2-methylpent-4-en-1-ol is sourced from PubChem (CID 143099829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).