6-methyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydronaphthalene-1-carbaldehyde

C15H22O — CID 91746681

IUPAC6-methyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydronaphthalene-1-carbaldehyde
SMILESCC1=CC2C(CC1)C(C=O)=CCC2C(C)C
InChIInChI=1S/C15H22O/c1-10(2)13-7-5-12(9-16)14-6-4-11(3)8-15(13)14/h5,8-10,13-15H,4,6-7H2,1-3H3
InChIKeyDNHAZRYDTSOZHV-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.76
Rot. Bonds2

About 6-methyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydronaphthalene-1-carbaldehyde

6-methyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydronaphthalene-1-carbaldehyde (PubChem CID 91746681) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 6-methyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydronaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name6-methyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydronaphthalene-1-carbaldehyde
PubChem CID91746681
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name6-methyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydronaphthalene-1-carbaldehyde
SMILESCC1=CC2C(CC1)C(C=O)=CCC2C(C)C
InChIInChI=1S/C15H22O/c1-10(2)13-7-5-12(9-16)14-6-4-11(3)8-15(13)14/h5,8-10,13-15H,4,6-7H2,1-3H3
InChIKeyDNHAZRYDTSOZHV-UHFFFAOYSA-N
XLogP3.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.76
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

Perillaldehyde
CID 16441
Myrtenal
CID 61130
3-Cyclohexene-1-carboxaldehyde, 4-(4-methyl-3-penten-1-yl)-
CID 93199
1-p-Menthen-9-al
CID 520440
Perillaldehyde, (-)-
CID 2724159
Polygodial
CID 72503
Myrtenal, (A+-)-
CID 1201529
2,6,10-Trimethyl-9-undecenal
CID 98403
Perillaldehyde, (+)-
CID 1548901
Phellandral
CID 89488
Vertonal
CID 101150
2,4-Dimethyl-3-cyclohexene carboxaldehyde
CID 93375

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydronaphthalene-1-carbaldehyde?
The IUPAC name of 6-methyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydronaphthalene-1-carbaldehyde (CID 91746681) is 6-methyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydronaphthalene-1-carbaldehyde.
What is the SMILES notation for 6-methyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydronaphthalene-1-carbaldehyde?
The canonical SMILES for 6-methyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydronaphthalene-1-carbaldehyde is CC1=CC2C(CC1)C(C=O)=CCC2C(C)C.
What is the InChIKey of 6-methyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydronaphthalene-1-carbaldehyde?
The InChIKey is DNHAZRYDTSOZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-10(2)13-7-5-12(9-16)14-6-4-11(3)8-15(13)14/h5,8-10,13-15H,4,6-7H2,1-3H3.
What are the key properties of 6-methyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydronaphthalene-1-carbaldehyde?
6-methyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydronaphthalene-1-carbaldehyde has a molecular weight of 218.34 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydronaphthalene-1-carbaldehyde is sourced from PubChem (CID 91746681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).