1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carbaldehyde

C19H26O — CID 59086526

IUPAC1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carbaldehyde
SMILESCc1cc2c(cc1C1(C=O)CC1)C(C)(C)CCC2(C)C
InChIInChI=1S/C19H26O/c1-13-10-15-16(11-14(13)19(12-20)8-9-19)18(4,5)7-6-17(15,2)3/h10-12H,6-9H2,1-5H3
InChIKeyUBYHRMSKCYQSTB-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.57
Rot. Bonds2

About 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carbaldehyde

1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carbaldehyde (PubChem CID 59086526) has the molecular formula C19H26O and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carbaldehyde
PubChem CID59086526
Molecular FormulaC19H26O
Molecular Weight270.42 g/mol
Exact Mass270.20
IUPAC Name1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carbaldehyde
SMILESCc1cc2c(cc1C1(C=O)CC1)C(C)(C)CCC2(C)C
InChIInChI=1S/C19H26O/c1-13-10-15-16(11-14(13)19(12-20)8-9-19)18(4,5)7-6-17(15,2)3/h10-12H,6-9H2,1-5H3
InChIKeyUBYHRMSKCYQSTB-UHFFFAOYSA-N
XLogP4.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Tonalide
CID 89440
Bourgeonal
CID 64832
7-Acetyl-6-ethyl-1,1,4,4-tetramethyltetralin
CID 6930
Dehydroabietinal
CID 11694869
3-(4-Isobutyl-2-methylphenyl)propanal
CID 17877030
3,3,6,8-Tetramethyl-1-tetralone
CID 79420
13-Methyl-4,4-bisnor-8,11,13-podocarpatrien-3-one
CID 6708561
2-Naphthalenecarboxaldehyde, 3-ethyl-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-
CID 42674
1,2,3,4-Tetrahydronaphthalene-1-carbaldehyde
CID 366956
2-(4-tert-Butylphenyl)propanal
CID 590304
3-(2-Ethylphenyl)-2,2-dimethylpropanal
CID 105512
Benzeneacetaldehyde, 3,4-dimethyl-
CID 111648

Frequently Asked Questions

What is the IUPAC name of 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carbaldehyde?
The IUPAC name of 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carbaldehyde (CID 59086526) is 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carbaldehyde?
The canonical SMILES for 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carbaldehyde is Cc1cc2c(cc1C1(C=O)CC1)C(C)(C)CCC2(C)C.
What is the InChIKey of 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carbaldehyde?
The InChIKey is UBYHRMSKCYQSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O/c1-13-10-15-16(11-14(13)19(12-20)8-9-19)18(4,5)7-6-17(15,2)3/h10-12H,6-9H2,1-5H3.
What are the key properties of 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carbaldehyde?
1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carbaldehyde has a molecular weight of 270.42 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 59086526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).