5-(2-ethyl-2-methylcyclopropyl)-3-methylpent-1-en-3-ol

C12H22O — CID 58708713

IUPAC5-(2-ethyl-2-methylcyclopropyl)-3-methylpent-1-en-3-ol
SMILESC=CC(C)(O)CCC1CC1(C)CC
InChIInChI=1S/C12H22O/c1-5-11(3)9-10(11)7-8-12(4,13)6-2/h6,10,13H,2,5,7-9H2,1,3-4H3
InChIKeyZJFDNOFSBBKFSB-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.14
Rot. Bonds5

About 5-(2-ethyl-2-methylcyclopropyl)-3-methylpent-1-en-3-ol

5-(2-ethyl-2-methylcyclopropyl)-3-methylpent-1-en-3-ol (PubChem CID 58708713) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 5-(2-ethyl-2-methylcyclopropyl)-3-methylpent-1-en-3-ol.

Molecular Properties

Compound Name5-(2-ethyl-2-methylcyclopropyl)-3-methylpent-1-en-3-ol
PubChem CID58708713
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name5-(2-ethyl-2-methylcyclopropyl)-3-methylpent-1-en-3-ol
SMILESC=CC(C)(O)CCC1CC1(C)CC
InChIInChI=1S/C12H22O/c1-5-11(3)9-10(11)7-8-12(4,13)6-2/h6,10,13H,2,5,7-9H2,1,3-4H3
InChIKeyZJFDNOFSBBKFSB-UHFFFAOYSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.14
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 5-(2-ethyl-2-methylcyclopropyl)-3-methylpent-1-en-3-ol?
The IUPAC name of 5-(2-ethyl-2-methylcyclopropyl)-3-methylpent-1-en-3-ol (CID 58708713) is 5-(2-ethyl-2-methylcyclopropyl)-3-methylpent-1-en-3-ol.
What is the SMILES notation for 5-(2-ethyl-2-methylcyclopropyl)-3-methylpent-1-en-3-ol?
The canonical SMILES for 5-(2-ethyl-2-methylcyclopropyl)-3-methylpent-1-en-3-ol is C=CC(C)(O)CCC1CC1(C)CC.
What is the InChIKey of 5-(2-ethyl-2-methylcyclopropyl)-3-methylpent-1-en-3-ol?
The InChIKey is ZJFDNOFSBBKFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-5-11(3)9-10(11)7-8-12(4,13)6-2/h6,10,13H,2,5,7-9H2,1,3-4H3.
What are the key properties of 5-(2-ethyl-2-methylcyclopropyl)-3-methylpent-1-en-3-ol?
5-(2-ethyl-2-methylcyclopropyl)-3-methylpent-1-en-3-ol has a molecular weight of 182.31 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyl-2-methylcyclopropyl)-3-methylpent-1-en-3-ol is sourced from PubChem (CID 58708713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).