1-heptylcyclohex-3-ene-1-carbaldehyde

C14H24O — CID 174431256

IUPAC1-heptylcyclohex-3-ene-1-carbaldehyde
SMILESCCCCCCCC1(C=O)CC=CCC1
InChIInChI=1S/C14H24O/c1-2-3-4-5-7-10-14(13-15)11-8-6-9-12-14/h6,8,13H,2-5,7,9-12H2,1H3
InChIKeyXCEVSUOLXICMIM-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.27
Rot. Bonds7

About 1-heptylcyclohex-3-ene-1-carbaldehyde

1-heptylcyclohex-3-ene-1-carbaldehyde (PubChem CID 174431256) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 1-heptylcyclohex-3-ene-1-carbaldehyde.

Molecular Properties

Compound Name1-heptylcyclohex-3-ene-1-carbaldehyde
PubChem CID174431256
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name1-heptylcyclohex-3-ene-1-carbaldehyde
SMILESCCCCCCCC1(C=O)CC=CCC1
InChIInChI=1S/C14H24O/c1-2-3-4-5-7-10-14(13-15)11-8-6-9-12-14/h6,8,13H,2-5,7,9-12H2,1H3
InChIKeyXCEVSUOLXICMIM-UHFFFAOYSA-N
XLogP4.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2-tetra(undecyl)cyclopentane
CID 18757655
2-(hydroxymethyl)-1-pentylcyclohex-3-ene-1-carbaldehyde
CID 157051958
dinonyl cyclohex-3-ene-1,1-dicarboxylate
CID 141184940
(2R)-2-octyloxirane-2-carbaldehyde
CID 135065142
1-(2-pentyl-1,3-dioxolan-2-yl)cyclopropane-1-carbaldehyde
CID 22042318
1,1,2,2-tetra(pentadecyl)cyclohexane
CID 175058240
3-decyldioxirane-3-carbaldehyde
CID 18461951
1,2-bis(octadec-9-enyl)cyclohex-3-ene-1,2-dicarboxylic acid
CID 67572067
(1S,5R)-5-dodecylbicyclo[3.2.1]oct-2-en-8-one
CID 15254960
1-nonylcyclohex-2-en-1-amine
CID 57359777
1-heptylcyclohex-2-en-1-ol
CID 86052671
1,1-dioctylcyclopentane
CID 54295272

Frequently Asked Questions

What is the IUPAC name of 1-heptylcyclohex-3-ene-1-carbaldehyde?
The IUPAC name of 1-heptylcyclohex-3-ene-1-carbaldehyde (CID 174431256) is 1-heptylcyclohex-3-ene-1-carbaldehyde.
What is the SMILES notation for 1-heptylcyclohex-3-ene-1-carbaldehyde?
The canonical SMILES for 1-heptylcyclohex-3-ene-1-carbaldehyde is CCCCCCCC1(C=O)CC=CCC1.
What is the InChIKey of 1-heptylcyclohex-3-ene-1-carbaldehyde?
The InChIKey is XCEVSUOLXICMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-2-3-4-5-7-10-14(13-15)11-8-6-9-12-14/h6,8,13H,2-5,7,9-12H2,1H3.
What are the key properties of 1-heptylcyclohex-3-ene-1-carbaldehyde?
1-heptylcyclohex-3-ene-1-carbaldehyde has a molecular weight of 208.34 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptylcyclohex-3-ene-1-carbaldehyde is sourced from PubChem (CID 174431256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).