2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]acetaldehyde

C20H28O — CID 19595639

IUPAC2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]acetaldehyde
SMILESCc1cc2c(cc1C1(CC=O)CC1)C(C)(C)CCC2(C)C
InChIInChI=1S/C20H28O/c1-14-12-16-17(19(4,5)7-6-18(16,2)3)13-15(14)20(8-9-20)10-11-21/h11-13H,6-10H2,1-5H3
InChIKeyCVZXBEXIAWIPLY-UHFFFAOYSA-N
MW284.44 g/mol
LogP4.96
Rot. Bonds3

About 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]acetaldehyde

2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]acetaldehyde (PubChem CID 19595639) has the molecular formula C20H28O and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]acetaldehyde.

Molecular Properties

Compound Name2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]acetaldehyde
PubChem CID19595639
Molecular FormulaC20H28O
Molecular Weight284.44 g/mol
Exact Mass284.21
IUPAC Name2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]acetaldehyde
SMILESCc1cc2c(cc1C1(CC=O)CC1)C(C)(C)CCC2(C)C
InChIInChI=1S/C20H28O/c1-14-12-16-17(19(4,5)7-6-18(16,2)3)13-15(14)20(8-9-20)10-11-21/h11-13H,6-10H2,1-5H3
InChIKeyCVZXBEXIAWIPLY-UHFFFAOYSA-N
XLogP4.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]acetaldehyde?
The IUPAC name of 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]acetaldehyde (CID 19595639) is 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]acetaldehyde.
What is the SMILES notation for 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]acetaldehyde?
The canonical SMILES for 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]acetaldehyde is Cc1cc2c(cc1C1(CC=O)CC1)C(C)(C)CCC2(C)C.
What is the InChIKey of 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]acetaldehyde?
The InChIKey is CVZXBEXIAWIPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O/c1-14-12-16-17(19(4,5)7-6-18(16,2)3)13-15(14)20(8-9-20)10-11-21/h11-13H,6-10H2,1-5H3.
What are the key properties of 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]acetaldehyde?
2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]acetaldehyde has a molecular weight of 284.44 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]acetaldehyde is sourced from PubChem (CID 19595639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).