6-(4-propan-2-ylidenecyclohexyl)oxynaphthalene-2-carbaldehyde

C20H22O2 — CID 163848347

IUPAC6-(4-propan-2-ylidenecyclohexyl)oxynaphthalene-2-carbaldehyde
SMILESCC(C)=C1CCC(Oc2ccc3cc(C=O)ccc3c2)CC1
InChIInChI=1S/C20H22O2/c1-14(2)16-5-8-19(9-6-16)22-20-10-7-17-11-15(13-21)3-4-18(17)12-20/h3-4,7,10-13,19H,5-6,8-9H2,1-2H3
InChIKeyOSDXBAUZGSWJBD-UHFFFAOYSA-N
MW294.39 g/mol
LogP5.31
Rot. Bonds3

About 6-(4-propan-2-ylidenecyclohexyl)oxynaphthalene-2-carbaldehyde

6-(4-propan-2-ylidenecyclohexyl)oxynaphthalene-2-carbaldehyde (PubChem CID 163848347) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 6-(4-propan-2-ylidenecyclohexyl)oxynaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name6-(4-propan-2-ylidenecyclohexyl)oxynaphthalene-2-carbaldehyde
PubChem CID163848347
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name6-(4-propan-2-ylidenecyclohexyl)oxynaphthalene-2-carbaldehyde
SMILESCC(C)=C1CCC(Oc2ccc3cc(C=O)ccc3c2)CC1
InChIInChI=1S/C20H22O2/c1-14(2)16-5-8-19(9-6-16)22-20-10-7-17-11-15(13-21)3-4-18(17)12-20/h3-4,7,10-13,19H,5-6,8-9H2,1-2H3
InChIKeyOSDXBAUZGSWJBD-UHFFFAOYSA-N
XLogP5.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.39
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(4-methylcyclohexyl)oxynaphthalene-2-carbaldehyde
CID 118243893
6-[4-(methoxymethyl)cyclohexyl]oxynaphthalene-2-carbaldehyde
CID 91664543
4-cyclopropyloxybenzaldehyde
CID 71423039
naphthalene-2,6-dicarbaldehyde
CID 159038637
4-(1-acetylpiperidin-4-yl)oxybenzaldehyde
CID 23087524
4-cyclopentyloxybenzaldehyde
CID 3152724
2-cyclopentyloxy-6-hydroxysulfanylnaphthalene
CID 135175413
2-aminoacetonitrile;6-(4-tert-butylcyclohexyl)oxynaphthalene-2-carbaldehyde;2-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]acetonitrile;methane
CID 159584625
6-(4-tert-butylcyclohexyl)oxynaphthalene-2-carbaldehyde;ethyl 3-amino-2,2-dimethylpropanoate;ethyl 3-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]-2,2-dimethylpropanoate
CID 158248181
6-methylanthracene-2-carbaldehyde
CID 156805593
6-(difluoromethoxy)naphthalene-2-carbaldehyde
CID 118848493
2-bromo-6-cyclopentyloxynaphthalene
CID 63531133

Frequently Asked Questions

What is the IUPAC name of 6-(4-propan-2-ylidenecyclohexyl)oxynaphthalene-2-carbaldehyde?
The IUPAC name of 6-(4-propan-2-ylidenecyclohexyl)oxynaphthalene-2-carbaldehyde (CID 163848347) is 6-(4-propan-2-ylidenecyclohexyl)oxynaphthalene-2-carbaldehyde.
What is the SMILES notation for 6-(4-propan-2-ylidenecyclohexyl)oxynaphthalene-2-carbaldehyde?
The canonical SMILES for 6-(4-propan-2-ylidenecyclohexyl)oxynaphthalene-2-carbaldehyde is CC(C)=C1CCC(Oc2ccc3cc(C=O)ccc3c2)CC1.
What is the InChIKey of 6-(4-propan-2-ylidenecyclohexyl)oxynaphthalene-2-carbaldehyde?
The InChIKey is OSDXBAUZGSWJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c1-14(2)16-5-8-19(9-6-16)22-20-10-7-17-11-15(13-21)3-4-18(17)12-20/h3-4,7,10-13,19H,5-6,8-9H2,1-2H3.
What are the key properties of 6-(4-propan-2-ylidenecyclohexyl)oxynaphthalene-2-carbaldehyde?
6-(4-propan-2-ylidenecyclohexyl)oxynaphthalene-2-carbaldehyde has a molecular weight of 294.39 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-propan-2-ylidenecyclohexyl)oxynaphthalene-2-carbaldehyde is sourced from PubChem (CID 163848347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).