1-methoxy-3-(3-methylidenecyclopentyl)propan-1-ol

C10H18O2 — CID 163940599

IUPAC1-methoxy-3-(3-methylidenecyclopentyl)propan-1-ol
SMILESC=C1CCC(CCC(O)OC)C1
InChIInChI=1S/C10H18O2/c1-8-3-4-9(7-8)5-6-10(11)12-2/h9-11H,1,3-7H2,2H3
InChIKeyRQQONDUJYPDKCJ-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.09
Rot. Bonds4

About 1-methoxy-3-(3-methylidenecyclopentyl)propan-1-ol

1-methoxy-3-(3-methylidenecyclopentyl)propan-1-ol (PubChem CID 163940599) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-methoxy-3-(3-methylidenecyclopentyl)propan-1-ol.

Molecular Properties

Compound Name1-methoxy-3-(3-methylidenecyclopentyl)propan-1-ol
PubChem CID163940599
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1-methoxy-3-(3-methylidenecyclopentyl)propan-1-ol
SMILESC=C1CCC(CCC(O)OC)C1
InChIInChI=1S/C10H18O2/c1-8-3-4-9(7-8)5-6-10(11)12-2/h9-11H,1,3-7H2,2H3
InChIKeyRQQONDUJYPDKCJ-UHFFFAOYSA-N
XLogP2.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-methoxy-3-(3-methylidenecyclopentyl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(+)-Iridodial lactol
CID 442438
cis-trans-Nepetalactol
CID 11652906
(+)-cis,cis-Nepetalactol
CID 102063093
Cyclopentanepropanol, 2-methylene-
CID 556392
US20230312476, Comparative Example 1
CID 148775493
US20230312476, Comparative Example 3
CID 169429089
8-Epiiridodial
CID 443334
Cyclopenta[c]pyran-1-ol, 1,4a,5,6,7,7a-hexahydro-4,7-dimethyl-
CID 3515879
(1S,4aR,7R,7aS)-4,7-dimethyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-ol
CID 166959725
(1R)-(+)-cis,cis-nepetalactol
CID 11194562
(1S)-(+)-cis,cis-nepetalactol
CID 11298185
(7R)-cis,trans-nepetalactol
CID 15560383

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(3-methylidenecyclopentyl)propan-1-ol?
The IUPAC name of 1-methoxy-3-(3-methylidenecyclopentyl)propan-1-ol (CID 163940599) is 1-methoxy-3-(3-methylidenecyclopentyl)propan-1-ol.
What is the SMILES notation for 1-methoxy-3-(3-methylidenecyclopentyl)propan-1-ol?
The canonical SMILES for 1-methoxy-3-(3-methylidenecyclopentyl)propan-1-ol is C=C1CCC(CCC(O)OC)C1.
What is the InChIKey of 1-methoxy-3-(3-methylidenecyclopentyl)propan-1-ol?
The InChIKey is RQQONDUJYPDKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8-3-4-9(7-8)5-6-10(11)12-2/h9-11H,1,3-7H2,2H3.
What are the key properties of 1-methoxy-3-(3-methylidenecyclopentyl)propan-1-ol?
1-methoxy-3-(3-methylidenecyclopentyl)propan-1-ol has a molecular weight of 170.25 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(3-methylidenecyclopentyl)propan-1-ol is sourced from PubChem (CID 163940599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).