(E)-1-(2,2-dimethylcyclopropyl)-2-methylbut-2-en-1-ol

C10H18O — CID 23261143

IUPAC(E)-1-(2,2-dimethylcyclopropyl)-2-methylbut-2-en-1-ol
SMILESC/C=C(\C)C(O)C1CC1(C)C
InChIInChI=1S/C10H18O/c1-5-7(2)9(11)8-6-10(8,3)4/h5,8-9,11H,6H2,1-4H3/b7-5+
InChIKeyCOHQIRBLGQESRK-FNORWQNLSA-N
MW154.25 g/mol
LogP2.36
Rot. Bonds2

About (E)-1-(2,2-dimethylcyclopropyl)-2-methylbut-2-en-1-ol

(E)-1-(2,2-dimethylcyclopropyl)-2-methylbut-2-en-1-ol (PubChem CID 23261143) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (E)-1-(2,2-dimethylcyclopropyl)-2-methylbut-2-en-1-ol.

Molecular Properties

Compound Name(E)-1-(2,2-dimethylcyclopropyl)-2-methylbut-2-en-1-ol
PubChem CID23261143
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(E)-1-(2,2-dimethylcyclopropyl)-2-methylbut-2-en-1-ol
SMILESC/C=C(\C)C(O)C1CC1(C)C
InChIInChI=1S/C10H18O/c1-5-7(2)9(11)8-6-10(8,3)4/h5,8-9,11H,6H2,1-4H3/b7-5+
InChIKeyCOHQIRBLGQESRK-FNORWQNLSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.36
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

[(1S)-2,2-dimethylcyclopropyl]methanediol
CID 70611170
1-(2,2-dimethylcyclopropyl)prop-2-yn-1-ol
CID 107005366
cyclopentyl-(2,2-dimethylcyclopropyl)methanol
CID 76740101
cyclobutyl-(2,2-dimethylcyclopropyl)methanol
CID 107005486
(R)-cyclohexyl-[(1R)-2,2-dimethylcyclopropyl]methanol
CID 101342425
1-(2,2-dimethylcyclopropyl)-4-methylpentan-1-ol
CID 107005279
1,1-dimethyl-2-(3-methylbutan-2-yl)cyclopropane
CID 91430882
3-methylhepta-2,5-dien-4-ol
CID 130124822
(1S)-1-[(1R)-2,2-dimethylcyclopropyl]ethanamine
CID 90067113
(2,2-dimethylcyclopropyl)-(4-fluoro-3,5-dimethylphenyl)methanol
CID 107002536
1-(2,2-dimethylcyclopropyl)pent-3-yn-1-ol
CID 107005265
1,1-dimethyl-2-(2-methylprop-1-enyl)cyclopropane
CID 520632

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,2-dimethylcyclopropyl)-2-methylbut-2-en-1-ol?
The IUPAC name of (E)-1-(2,2-dimethylcyclopropyl)-2-methylbut-2-en-1-ol (CID 23261143) is (E)-1-(2,2-dimethylcyclopropyl)-2-methylbut-2-en-1-ol.
What is the SMILES notation for (E)-1-(2,2-dimethylcyclopropyl)-2-methylbut-2-en-1-ol?
The canonical SMILES for (E)-1-(2,2-dimethylcyclopropyl)-2-methylbut-2-en-1-ol is C/C=C(\C)C(O)C1CC1(C)C.
What is the InChIKey of (E)-1-(2,2-dimethylcyclopropyl)-2-methylbut-2-en-1-ol?
The InChIKey is COHQIRBLGQESRK-FNORWQNLSA-N. The full InChI is InChI=1S/C10H18O/c1-5-7(2)9(11)8-6-10(8,3)4/h5,8-9,11H,6H2,1-4H3/b7-5+.
What are the key properties of (E)-1-(2,2-dimethylcyclopropyl)-2-methylbut-2-en-1-ol?
(E)-1-(2,2-dimethylcyclopropyl)-2-methylbut-2-en-1-ol has a molecular weight of 154.25 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,2-dimethylcyclopropyl)-2-methylbut-2-en-1-ol is sourced from PubChem (CID 23261143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).