(3Z)-2,2-dimethyl-3-(2-methylpropylidene)cyclopropan-1-ol

C9H16O — CID 130355925

IUPAC(3Z)-2,2-dimethyl-3-(2-methylpropylidene)cyclopropan-1-ol
SMILESCC(C)/C=C1\C(O)C1(C)C
InChIInChI=1S/C9H16O/c1-6(2)5-7-8(10)9(7,3)4/h5-6,8,10H,1-4H3/b7-5+
InChIKeyFZERKDUDCDQERF-FNORWQNLSA-N
MW140.23 g/mol
LogP1.97
Rot. Bonds1

About (3Z)-2,2-dimethyl-3-(2-methylpropylidene)cyclopropan-1-ol

(3Z)-2,2-dimethyl-3-(2-methylpropylidene)cyclopropan-1-ol (PubChem CID 130355925) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (3Z)-2,2-dimethyl-3-(2-methylpropylidene)cyclopropan-1-ol.

Molecular Properties

Compound Name(3Z)-2,2-dimethyl-3-(2-methylpropylidene)cyclopropan-1-ol
PubChem CID130355925
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(3Z)-2,2-dimethyl-3-(2-methylpropylidene)cyclopropan-1-ol
SMILESCC(C)/C=C1\C(O)C1(C)C
InChIInChI=1S/C9H16O/c1-6(2)5-7-8(10)9(7,3)4/h5-6,8,10H,1-4H3/b7-5+
InChIKeyFZERKDUDCDQERF-FNORWQNLSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-2,2-dimethyl-3-(2-methylpropylidene)cyclopropan-1-ol?
The IUPAC name of (3Z)-2,2-dimethyl-3-(2-methylpropylidene)cyclopropan-1-ol (CID 130355925) is (3Z)-2,2-dimethyl-3-(2-methylpropylidene)cyclopropan-1-ol.
What is the SMILES notation for (3Z)-2,2-dimethyl-3-(2-methylpropylidene)cyclopropan-1-ol?
The canonical SMILES for (3Z)-2,2-dimethyl-3-(2-methylpropylidene)cyclopropan-1-ol is CC(C)/C=C1\C(O)C1(C)C.
What is the InChIKey of (3Z)-2,2-dimethyl-3-(2-methylpropylidene)cyclopropan-1-ol?
The InChIKey is FZERKDUDCDQERF-FNORWQNLSA-N. The full InChI is InChI=1S/C9H16O/c1-6(2)5-7-8(10)9(7,3)4/h5-6,8,10H,1-4H3/b7-5+.
What are the key properties of (3Z)-2,2-dimethyl-3-(2-methylpropylidene)cyclopropan-1-ol?
(3Z)-2,2-dimethyl-3-(2-methylpropylidene)cyclopropan-1-ol has a molecular weight of 140.23 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2,2-dimethyl-3-(2-methylpropylidene)cyclopropan-1-ol is sourced from PubChem (CID 130355925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).