2-methyl-1-propoxycyclohexane-1-carbaldehyde

C11H20O2 — CID 165494983

IUPAC2-methyl-1-propoxycyclohexane-1-carbaldehyde
SMILESCCCOC1(C=O)CCCCC1C
InChIInChI=1S/C11H20O2/c1-3-8-13-11(9-12)7-5-4-6-10(11)2/h9-10H,3-8H2,1-2H3
InChIKeyXJPXSVLYDNIKJO-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.56
Rot. Bonds4

About 2-methyl-1-propoxycyclohexane-1-carbaldehyde

2-methyl-1-propoxycyclohexane-1-carbaldehyde (PubChem CID 165494983) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-methyl-1-propoxycyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name2-methyl-1-propoxycyclohexane-1-carbaldehyde
PubChem CID165494983
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-methyl-1-propoxycyclohexane-1-carbaldehyde
SMILESCCCOC1(C=O)CCCCC1C
InChIInChI=1S/C11H20O2/c1-3-8-13-11(9-12)7-5-4-6-10(11)2/h9-10H,3-8H2,1-2H3
InChIKeyXJPXSVLYDNIKJO-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.56
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

1-methoxy-2-methylcyclohexane-1-carbaldehyde
CID 130743446
1-(2-methyl-1-propoxycyclopentyl)ethanone
CID 83226617
1-(2-methyl-1-propoxycyclopentyl)propan-1-one
CID 83226052
cis-(1R,2S)-1,2-dimethylcyclohexane-1-carbaldehyde
CID 131195965
1-(1-hydroxypropan-2-yl)-2-methylcyclohexane-1-carbaldehyde
CID 131068991
1,2-dimethylcycloundecane-1-carbaldehyde
CID 138734446
2-methyl-1-propylcyclopentane-1-carbaldehyde
CID 130655342
2-[1-(methoxymethyl)-2-methylcyclohexyl]pentanal
CID 174651164
1-propoxy-7-oxabicyclo[4.1.0]heptane
CID 54126480
N-[(1-propoxycyclopentyl)methyl]cyclopropanamine
CID 62107293
1,1-dipropoxycyclodecane
CID 89439642
trans-(1S,2S)-2-methyl-1-(2-oxopropyl)cyclohexane-1-carbaldehyde
CID 130753828

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-propoxycyclohexane-1-carbaldehyde?
The IUPAC name of 2-methyl-1-propoxycyclohexane-1-carbaldehyde (CID 165494983) is 2-methyl-1-propoxycyclohexane-1-carbaldehyde.
What is the SMILES notation for 2-methyl-1-propoxycyclohexane-1-carbaldehyde?
The canonical SMILES for 2-methyl-1-propoxycyclohexane-1-carbaldehyde is CCCOC1(C=O)CCCCC1C.
What is the InChIKey of 2-methyl-1-propoxycyclohexane-1-carbaldehyde?
The InChIKey is XJPXSVLYDNIKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-8-13-11(9-12)7-5-4-6-10(11)2/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-methyl-1-propoxycyclohexane-1-carbaldehyde?
2-methyl-1-propoxycyclohexane-1-carbaldehyde has a molecular weight of 184.28 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propoxycyclohexane-1-carbaldehyde is sourced from PubChem (CID 165494983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).