3-methylidene-4-propan-2-yl-2-propylcyclopentan-1-ol

C12H22O — CID 176959268

IUPAC3-methylidene-4-propan-2-yl-2-propylcyclopentan-1-ol
SMILESC=C1C(C(C)C)CC(O)C1CCC
InChIInChI=1S/C12H22O/c1-5-6-10-9(4)11(8(2)3)7-12(10)13/h8,10-13H,4-7H2,1-3H3
InChIKeyMUKWKXNRYIBZFF-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.00
Rot. Bonds3

About 3-methylidene-4-propan-2-yl-2-propylcyclopentan-1-ol

3-methylidene-4-propan-2-yl-2-propylcyclopentan-1-ol (PubChem CID 176959268) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 3-methylidene-4-propan-2-yl-2-propylcyclopentan-1-ol.

Molecular Properties

Compound Name3-methylidene-4-propan-2-yl-2-propylcyclopentan-1-ol
PubChem CID176959268
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name3-methylidene-4-propan-2-yl-2-propylcyclopentan-1-ol
SMILESC=C1C(C(C)C)CC(O)C1CCC
InChIInChI=1S/C12H22O/c1-5-6-10-9(4)11(8(2)3)7-12(10)13/h8,10-13H,4-7H2,1-3H3
InChIKeyMUKWKXNRYIBZFF-UHFFFAOYSA-N
XLogP3.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.00
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 3-methylidene-4-propan-2-yl-2-propylcyclopentan-1-ol?
The IUPAC name of 3-methylidene-4-propan-2-yl-2-propylcyclopentan-1-ol (CID 176959268) is 3-methylidene-4-propan-2-yl-2-propylcyclopentan-1-ol.
What is the SMILES notation for 3-methylidene-4-propan-2-yl-2-propylcyclopentan-1-ol?
The canonical SMILES for 3-methylidene-4-propan-2-yl-2-propylcyclopentan-1-ol is C=C1C(C(C)C)CC(O)C1CCC.
What is the InChIKey of 3-methylidene-4-propan-2-yl-2-propylcyclopentan-1-ol?
The InChIKey is MUKWKXNRYIBZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-5-6-10-9(4)11(8(2)3)7-12(10)13/h8,10-13H,4-7H2,1-3H3.
What are the key properties of 3-methylidene-4-propan-2-yl-2-propylcyclopentan-1-ol?
3-methylidene-4-propan-2-yl-2-propylcyclopentan-1-ol has a molecular weight of 182.31 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-4-propan-2-yl-2-propylcyclopentan-1-ol is sourced from PubChem (CID 176959268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).