1,4,5,6,7,8-hexahydronaphthalene-1-carbaldehyde

C11H14O — CID 163300838

IUPAC1,4,5,6,7,8-hexahydronaphthalene-1-carbaldehyde
SMILESO=CC1C=CCC2=C1CCCC2
InChIInChI=1S/C11H14O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h3,6,8,10H,1-2,4-5,7H2
InChIKeyOQFVSMSUWQWKGP-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.63
Rot. Bonds1

About 1,4,5,6,7,8-hexahydronaphthalene-1-carbaldehyde

1,4,5,6,7,8-hexahydronaphthalene-1-carbaldehyde (PubChem CID 163300838) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 1,4,5,6,7,8-hexahydronaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name1,4,5,6,7,8-hexahydronaphthalene-1-carbaldehyde
PubChem CID163300838
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name1,4,5,6,7,8-hexahydronaphthalene-1-carbaldehyde
SMILESO=CC1C=CCC2=C1CCCC2
InChIInChI=1S/C11H14O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h3,6,8,10H,1-2,4-5,7H2
InChIKeyOQFVSMSUWQWKGP-UHFFFAOYSA-N
XLogP2.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,4-dihydronaphthalene-1-carbaldehyde
CID 45083981
3,4,5,8-tetrahydro-1H-isochromene-5,8-dicarbaldehyde
CID 173361220
ethyl 2,3,4,5,8,9-hexahydro-1H-benzo[7]annulene-9-carboxylate
CID 15880927
1-propan-2-yl-1,2,3,4,5,8-hexahydronaphthalene
CID 101316613
(NE)-N-[[(4aS,5R)-5-trimethylsilyloxy-2,3,4,4a,5,8-hexahydro-1H-benzo[7]annulen-9-yl]methylidene]methanesulfonamide
CID 72702802
4-cyclohexylidenecyclohexene
CID 174411361
heptacyclo[16.6.0.02,9.03,8.010,17.011,16.019,24]tetracosa-3(8),11(16),19(24)-triene
CID 101440290
4-[2-(4,5,6,7-tetrahydro-1H-inden-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-indene
CID 57091499
lithium;hydride;4,5,6,7-tetrahydro-1H-inden-1-ylsilane
CID 173341675
(1Z)-bicyclo[10.8.0]icos-1(12)-ene
CID 5377998
4-cyclopent-3-en-1-ylidenecyclopentene
CID 59987840
4-ethyl-4,5,6,7-tetrahydro-1H-indene
CID 22388845

Frequently Asked Questions

What is the IUPAC name of 1,4,5,6,7,8-hexahydronaphthalene-1-carbaldehyde?
The IUPAC name of 1,4,5,6,7,8-hexahydronaphthalene-1-carbaldehyde (CID 163300838) is 1,4,5,6,7,8-hexahydronaphthalene-1-carbaldehyde.
What is the SMILES notation for 1,4,5,6,7,8-hexahydronaphthalene-1-carbaldehyde?
The canonical SMILES for 1,4,5,6,7,8-hexahydronaphthalene-1-carbaldehyde is O=CC1C=CCC2=C1CCCC2.
What is the InChIKey of 1,4,5,6,7,8-hexahydronaphthalene-1-carbaldehyde?
The InChIKey is OQFVSMSUWQWKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h3,6,8,10H,1-2,4-5,7H2.
What are the key properties of 1,4,5,6,7,8-hexahydronaphthalene-1-carbaldehyde?
1,4,5,6,7,8-hexahydronaphthalene-1-carbaldehyde has a molecular weight of 162.23 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,6,7,8-hexahydronaphthalene-1-carbaldehyde is sourced from PubChem (CID 163300838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).