2-cyclopentyloxy-3-methylcyclohexa-1,3-diene-1-carbaldehyde

C13H18O2 — CID 90897305

IUPAC2-cyclopentyloxy-3-methylcyclohexa-1,3-diene-1-carbaldehyde
SMILESCC1=CCCC(C=O)=C1OC1CCCC1
InChIInChI=1S/C13H18O2/c1-10-5-4-6-11(9-14)13(10)15-12-7-2-3-8-12/h5,9,12H,2-4,6-8H2,1H3
InChIKeyDSCFGVFNIIIYAQ-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.14
Rot. Bonds3

About 2-cyclopentyloxy-3-methylcyclohexa-1,3-diene-1-carbaldehyde

2-cyclopentyloxy-3-methylcyclohexa-1,3-diene-1-carbaldehyde (PubChem CID 90897305) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-cyclopentyloxy-3-methylcyclohexa-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name2-cyclopentyloxy-3-methylcyclohexa-1,3-diene-1-carbaldehyde
PubChem CID90897305
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2-cyclopentyloxy-3-methylcyclohexa-1,3-diene-1-carbaldehyde
SMILESCC1=CCCC(C=O)=C1OC1CCCC1
InChIInChI=1S/C13H18O2/c1-10-5-4-6-11(9-14)13(10)15-12-7-2-3-8-12/h5,9,12H,2-4,6-8H2,1H3
InChIKeyDSCFGVFNIIIYAQ-UHFFFAOYSA-N
XLogP3.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Cyclopentyloxy-3-(difluoromethoxy)cyclohexa-1,3-diene-1-carbaldehyde
CID 144014836
Ethyl 2-ethoxy-4-methyl-1,3-cyclopentadiene-1-carboxylate
CID 15749215
1-Butoxy-1,2,3,6-tetrahydroinden-5-one
CID 23462555
4-Ethoxy-5-methoxycyclohexa-1,3-diene-1-carbaldehyde
CID 57772206
4-Prop-2-enoxycyclohexa-1,3-diene-1-carbaldehyde
CID 89093143
5-(2-Methylpropoxy)-3-propan-2-yloxycyclohexa-1,3-diene-1-carbaldehyde
CID 89146282
3-Butyl-4-propan-2-yloxycyclohexa-1,3-diene-1-carbaldehyde
CID 89359092
3-Methylidene-2-(2-prop-2-enoxybut-2-enylidene)cyclopentan-1-one
CID 90755040
4-Methyl-2-prop-2-enoxycyclohexa-1,3-diene-1-carbaldehyde
CID 90806246
5-(1-Methoxyethyl)-6-methylcyclohexa-1,5-diene-1-carbaldehyde
CID 91543218
3,5-Dimethoxy-4-propoxycyclohexa-1,3-diene-1-carbaldehyde
CID 123164546
4-(4-Methylcyclohexa-1,5-dien-1-yl)oxycyclohexa-1,3-diene-1-carbaldehyde
CID 123170513

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-3-methylcyclohexa-1,3-diene-1-carbaldehyde?
The IUPAC name of 2-cyclopentyloxy-3-methylcyclohexa-1,3-diene-1-carbaldehyde (CID 90897305) is 2-cyclopentyloxy-3-methylcyclohexa-1,3-diene-1-carbaldehyde.
What is the SMILES notation for 2-cyclopentyloxy-3-methylcyclohexa-1,3-diene-1-carbaldehyde?
The canonical SMILES for 2-cyclopentyloxy-3-methylcyclohexa-1,3-diene-1-carbaldehyde is CC1=CCCC(C=O)=C1OC1CCCC1.
What is the InChIKey of 2-cyclopentyloxy-3-methylcyclohexa-1,3-diene-1-carbaldehyde?
The InChIKey is DSCFGVFNIIIYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-10-5-4-6-11(9-14)13(10)15-12-7-2-3-8-12/h5,9,12H,2-4,6-8H2,1H3.
What are the key properties of 2-cyclopentyloxy-3-methylcyclohexa-1,3-diene-1-carbaldehyde?
2-cyclopentyloxy-3-methylcyclohexa-1,3-diene-1-carbaldehyde has a molecular weight of 206.28 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-3-methylcyclohexa-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 90897305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).