2-methyl-2-(2-methylidenebutyl)propane-1,3-diol

C9H18O2 — CID 10630779

IUPAC2-methyl-2-(2-methylidenebutyl)propane-1,3-diol
SMILESC=C(CC)CC(C)(CO)CO
InChIInChI=1S/C9H18O2/c1-4-8(2)5-9(3,6-10)7-11/h10-11H,2,4-7H2,1,3H3
InChIKeyXUTJXYPPMAMBFE-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.33
Rot. Bonds5

About 2-methyl-2-(2-methylidenebutyl)propane-1,3-diol

2-methyl-2-(2-methylidenebutyl)propane-1,3-diol (PubChem CID 10630779) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-methyl-2-(2-methylidenebutyl)propane-1,3-diol.

Molecular Properties

Compound Name2-methyl-2-(2-methylidenebutyl)propane-1,3-diol
PubChem CID10630779
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name2-methyl-2-(2-methylidenebutyl)propane-1,3-diol
SMILESC=C(CC)CC(C)(CO)CO
InChIInChI=1S/C9H18O2/c1-4-8(2)5-9(3,6-10)7-11/h10-11H,2,4-7H2,1,3H3
InChIKeyXUTJXYPPMAMBFE-UHFFFAOYSA-N
XLogP1.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.33
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

4,4-Dimethyl-2-methylene-1-pentanol
CID 78086
2,2,4-Trimethylpent-4-en-1-ol
CID 543901
3-Methylene-5,5-dimethyl-1-hexanol
CID 19956460
[1-(Hydroxymethyl)-3-methyl-4-methylidenecyclopentyl]methanol
CID 24881495
4-Neopentyl-4-penten-1-ol
CID 89747777
[1-(Hydroxymethyl)-4-methylcyclohex-3-en-1-yl]methanol
CID 3809023
4,4,5-Trimethylhex-5-en-1-ol
CID 10103486
2,5,5-Trimethyl-3-methylidenehexan-1-ol
CID 87088430
2,2-Bis(2-methylprop-2-enyl)propane-1,3-diol
CID 15365940
[(2R)-1-(hydroxymethyl)-2-prop-1-en-2-ylcyclopropyl]methanol
CID 101643658
2-(Isopropenylcyclobutyl)ethanol
CID 157649204
[(3R)-1-(hydroxymethyl)-3-methyl-4-methylidenecyclopentyl]methanol
CID 176427685

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methylidenebutyl)propane-1,3-diol?
The IUPAC name of 2-methyl-2-(2-methylidenebutyl)propane-1,3-diol (CID 10630779) is 2-methyl-2-(2-methylidenebutyl)propane-1,3-diol.
What is the SMILES notation for 2-methyl-2-(2-methylidenebutyl)propane-1,3-diol?
The canonical SMILES for 2-methyl-2-(2-methylidenebutyl)propane-1,3-diol is C=C(CC)CC(C)(CO)CO.
What is the InChIKey of 2-methyl-2-(2-methylidenebutyl)propane-1,3-diol?
The InChIKey is XUTJXYPPMAMBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-4-8(2)5-9(3,6-10)7-11/h10-11H,2,4-7H2,1,3H3.
What are the key properties of 2-methyl-2-(2-methylidenebutyl)propane-1,3-diol?
2-methyl-2-(2-methylidenebutyl)propane-1,3-diol has a molecular weight of 158.24 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylidenebutyl)propane-1,3-diol is sourced from PubChem (CID 10630779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).