4-methyl-2-methylidenepentan-1-ol

C7H14O — CID 545223

IUPAC4-methyl-2-methylidenepentan-1-ol
SMILESC=C(CO)CC(C)C
InChIInChI=1S/C7H14O/c1-6(2)4-7(3)5-8/h6,8H,3-5H2,1-2H3
InChIKeyBCCGLFNYAVNCOM-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.58
Rot. Bonds3

About 4-methyl-2-methylidenepentan-1-ol

4-methyl-2-methylidenepentan-1-ol (PubChem CID 545223) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is 4-methyl-2-methylidenepentan-1-ol.

Molecular Properties

Compound Name4-methyl-2-methylidenepentan-1-ol
PubChem CID545223
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name4-methyl-2-methylidenepentan-1-ol
SMILESC=C(CO)CC(C)C
InChIInChI=1S/C7H14O/c1-6(2)4-7(3)5-8/h6,8H,3-5H2,1-2H3
InChIKeyBCCGLFNYAVNCOM-UHFFFAOYSA-N
XLogP1.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.58
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

4-Methyl-3-methylidenepentan-1-ol
CID 12869978
4,4-Dimethyl-2-methylene-1-pentanol
CID 78086
2-Methyl-3-methylidenepentan-1-ol
CID 12673111
3-Methyl-2-methylidenepentan-1-ol
CID 15556926
4-Methyl-4-penten-1-ol
CID 89737
2,4-Dimethyl-1-penten-3-ol
CID 140606
(4S)-4-Methylhex-5-en-1-ol
CID 13119644
2-Cyclopropylprop-2-en-1-ol
CID 12705074
3,4-Dimethylpent-4-en-1-ol
CID 14417455
2-Methylidenehexan-1-ol
CID 11366970
(2S,3R)-2,4-dimethylpent-4-ene-1,3-diol
CID 13129934
2-Ethenylidenepentan-1-ol
CID 86206046

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylidenepentan-1-ol?
The IUPAC name of 4-methyl-2-methylidenepentan-1-ol (CID 545223) is 4-methyl-2-methylidenepentan-1-ol.
What is the SMILES notation for 4-methyl-2-methylidenepentan-1-ol?
The canonical SMILES for 4-methyl-2-methylidenepentan-1-ol is C=C(CO)CC(C)C.
What is the InChIKey of 4-methyl-2-methylidenepentan-1-ol?
The InChIKey is BCCGLFNYAVNCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O/c1-6(2)4-7(3)5-8/h6,8H,3-5H2,1-2H3.
What are the key properties of 4-methyl-2-methylidenepentan-1-ol?
4-methyl-2-methylidenepentan-1-ol has a molecular weight of 114.19 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylidenepentan-1-ol is sourced from PubChem (CID 545223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).