(1R)-2-methyl-5-(2-methylheptan-2-yl)cyclohex-2-ene-1-carbaldehyde

C16H28O — CID 130305073

IUPAC(1R)-2-methyl-5-(2-methylheptan-2-yl)cyclohex-2-ene-1-carbaldehyde
SMILESCCCCCC(C)(C)C1CC=C(C)[C@H](C=O)C1
InChIInChI=1S/C16H28O/c1-5-6-7-10-16(3,4)15-9-8-13(2)14(11-15)12-17/h8,12,14-15H,5-7,9-11H2,1-4H3/t14-,15?/m0/s1
InChIKeyVYERHHJVAQGEMP-MLCCFXAWSA-N
MW236.40 g/mol
LogP4.76
Rot. Bonds6

About (1R)-2-methyl-5-(2-methylheptan-2-yl)cyclohex-2-ene-1-carbaldehyde

(1R)-2-methyl-5-(2-methylheptan-2-yl)cyclohex-2-ene-1-carbaldehyde (PubChem CID 130305073) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is (1R)-2-methyl-5-(2-methylheptan-2-yl)cyclohex-2-ene-1-carbaldehyde.

Molecular Properties

Compound Name(1R)-2-methyl-5-(2-methylheptan-2-yl)cyclohex-2-ene-1-carbaldehyde
PubChem CID130305073
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name(1R)-2-methyl-5-(2-methylheptan-2-yl)cyclohex-2-ene-1-carbaldehyde
SMILESCCCCCC(C)(C)C1CC=C(C)[C@H](C=O)C1
InChIInChI=1S/C16H28O/c1-5-6-7-10-16(3,4)15-9-8-13(2)14(11-15)12-17/h8,12,14-15H,5-7,9-11H2,1-4H3/t14-,15?/m0/s1
InChIKeyVYERHHJVAQGEMP-MLCCFXAWSA-N
XLogP4.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-methyl-5-(2-methylheptan-2-yl)cyclohex-2-ene-1-carbaldehyde?
The IUPAC name of (1R)-2-methyl-5-(2-methylheptan-2-yl)cyclohex-2-ene-1-carbaldehyde (CID 130305073) is (1R)-2-methyl-5-(2-methylheptan-2-yl)cyclohex-2-ene-1-carbaldehyde.
What is the SMILES notation for (1R)-2-methyl-5-(2-methylheptan-2-yl)cyclohex-2-ene-1-carbaldehyde?
The canonical SMILES for (1R)-2-methyl-5-(2-methylheptan-2-yl)cyclohex-2-ene-1-carbaldehyde is CCCCCC(C)(C)C1CC=C(C)[C@H](C=O)C1.
What is the InChIKey of (1R)-2-methyl-5-(2-methylheptan-2-yl)cyclohex-2-ene-1-carbaldehyde?
The InChIKey is VYERHHJVAQGEMP-MLCCFXAWSA-N. The full InChI is InChI=1S/C16H28O/c1-5-6-7-10-16(3,4)15-9-8-13(2)14(11-15)12-17/h8,12,14-15H,5-7,9-11H2,1-4H3/t14-,15?/m0/s1.
What are the key properties of (1R)-2-methyl-5-(2-methylheptan-2-yl)cyclohex-2-ene-1-carbaldehyde?
(1R)-2-methyl-5-(2-methylheptan-2-yl)cyclohex-2-ene-1-carbaldehyde has a molecular weight of 236.40 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-methyl-5-(2-methylheptan-2-yl)cyclohex-2-ene-1-carbaldehyde is sourced from PubChem (CID 130305073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).