(6R,7R)-3,5,5,6,7,8,8-heptamethyl-6,7-dihydronaphthalene-2-carbaldehyde

C18H26O — CID 22861286

IUPAC(6R,7R)-3,5,5,6,7,8,8-heptamethyl-6,7-dihydronaphthalene-2-carbaldehyde
SMILESCc1cc2c(cc1C=O)C(C)(C)[C@H](C)[C@@H](C)C2(C)C
InChIInChI=1S/C18H26O/c1-11-8-15-16(9-14(11)10-19)18(6,7)13(3)12(2)17(15,4)5/h8-10,12-13H,1-7H3/t12-,13-/m1/s1
InChIKeyZIASQZKMMDNGSU-CHWSQXEVSA-N
MW258.40 g/mol
LogP4.65
Rot. Bonds1

About (6R,7R)-3,5,5,6,7,8,8-heptamethyl-6,7-dihydronaphthalene-2-carbaldehyde

(6R,7R)-3,5,5,6,7,8,8-heptamethyl-6,7-dihydronaphthalene-2-carbaldehyde (PubChem CID 22861286) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is (6R,7R)-3,5,5,6,7,8,8-heptamethyl-6,7-dihydronaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name(6R,7R)-3,5,5,6,7,8,8-heptamethyl-6,7-dihydronaphthalene-2-carbaldehyde
PubChem CID22861286
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name(6R,7R)-3,5,5,6,7,8,8-heptamethyl-6,7-dihydronaphthalene-2-carbaldehyde
SMILESCc1cc2c(cc1C=O)C(C)(C)[C@H](C)[C@@H](C)C2(C)C
InChIInChI=1S/C18H26O/c1-11-8-15-16(9-14(11)10-19)18(6,7)13(3)12(2)17(15,4)5/h8-10,12-13H,1-7H3/t12-,13-/m1/s1
InChIKeyZIASQZKMMDNGSU-CHWSQXEVSA-N
XLogP4.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 54.65
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 (6R,7R)-3,5,5,6,7,8,8-heptamethyl-6,7-dihydronaphthalene-2-carbaldehyde?
The IUPAC name of (6R,7R)-3,5,5,6,7,8,8-heptamethyl-6,7-dihydronaphthalene-2-carbaldehyde (CID 22861286) is (6R,7R)-3,5,5,6,7,8,8-heptamethyl-6,7-dihydronaphthalene-2-carbaldehyde.
What is the SMILES notation for (6R,7R)-3,5,5,6,7,8,8-heptamethyl-6,7-dihydronaphthalene-2-carbaldehyde?
The canonical SMILES for (6R,7R)-3,5,5,6,7,8,8-heptamethyl-6,7-dihydronaphthalene-2-carbaldehyde is Cc1cc2c(cc1C=O)C(C)(C)[C@H](C)[C@@H](C)C2(C)C.
What is the InChIKey of (6R,7R)-3,5,5,6,7,8,8-heptamethyl-6,7-dihydronaphthalene-2-carbaldehyde?
The InChIKey is ZIASQZKMMDNGSU-CHWSQXEVSA-N. The full InChI is InChI=1S/C18H26O/c1-11-8-15-16(9-14(11)10-19)18(6,7)13(3)12(2)17(15,4)5/h8-10,12-13H,1-7H3/t12-,13-/m1/s1.
What are the key properties of (6R,7R)-3,5,5,6,7,8,8-heptamethyl-6,7-dihydronaphthalene-2-carbaldehyde?
(6R,7R)-3,5,5,6,7,8,8-heptamethyl-6,7-dihydronaphthalene-2-carbaldehyde has a molecular weight of 258.40 g/mol, XLogP of 4.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R)-3,5,5,6,7,8,8-heptamethyl-6,7-dihydronaphthalene-2-carbaldehyde is sourced from PubChem (CID 22861286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).