[2-(5,5-dimethoxypent-1-en-2-yl)-5-methylcyclopentyl]methanol

C14H26O3 — CID 554560

IUPAC[2-(5,5-dimethoxypent-1-en-2-yl)-5-methylcyclopentyl]methanol
SMILESC=C(CCC(OC)OC)C1CCC(C)C1CO
InChIInChI=1S/C14H26O3/c1-10(6-8-14(16-3)17-4)12-7-5-11(2)13(12)9-15/h11-15H,1,5-9H2,2-4H3
InChIKeyDKYNAAREXIQKQX-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.60
Rot. Bonds7

About [2-(5,5-dimethoxypent-1-en-2-yl)-5-methylcyclopentyl]methanol

[2-(5,5-dimethoxypent-1-en-2-yl)-5-methylcyclopentyl]methanol (PubChem CID 554560) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is [2-(5,5-dimethoxypent-1-en-2-yl)-5-methylcyclopentyl]methanol.

Molecular Properties

Compound Name[2-(5,5-dimethoxypent-1-en-2-yl)-5-methylcyclopentyl]methanol
PubChem CID554560
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name[2-(5,5-dimethoxypent-1-en-2-yl)-5-methylcyclopentyl]methanol
SMILESC=C(CCC(OC)OC)C1CCC(C)C1CO
InChIInChI=1S/C14H26O3/c1-10(6-8-14(16-3)17-4)12-7-5-11(2)13(12)9-15/h11-15H,1,5-9H2,2-4H3
InChIKeyDKYNAAREXIQKQX-UHFFFAOYSA-N
XLogP2.60
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(5,5-dimethoxypent-1-en-2-yl)-5-methylcyclopentyl]methanol?
The IUPAC name of [2-(5,5-dimethoxypent-1-en-2-yl)-5-methylcyclopentyl]methanol (CID 554560) is [2-(5,5-dimethoxypent-1-en-2-yl)-5-methylcyclopentyl]methanol.
What is the SMILES notation for [2-(5,5-dimethoxypent-1-en-2-yl)-5-methylcyclopentyl]methanol?
The canonical SMILES for [2-(5,5-dimethoxypent-1-en-2-yl)-5-methylcyclopentyl]methanol is C=C(CCC(OC)OC)C1CCC(C)C1CO.
What is the InChIKey of [2-(5,5-dimethoxypent-1-en-2-yl)-5-methylcyclopentyl]methanol?
The InChIKey is DKYNAAREXIQKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-10(6-8-14(16-3)17-4)12-7-5-11(2)13(12)9-15/h11-15H,1,5-9H2,2-4H3.
What are the key properties of [2-(5,5-dimethoxypent-1-en-2-yl)-5-methylcyclopentyl]methanol?
[2-(5,5-dimethoxypent-1-en-2-yl)-5-methylcyclopentyl]methanol has a molecular weight of 242.36 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5,5-dimethoxypent-1-en-2-yl)-5-methylcyclopentyl]methanol is sourced from PubChem (CID 554560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).