4-tert-butyl-1-prop-1-en-2-ylcyclohexane-1-carbaldehyde

C14H24O — CID 13249965

IUPAC4-tert-butyl-1-prop-1-en-2-ylcyclohexane-1-carbaldehyde
SMILESC=C(C)C1(C=O)CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H24O/c1-11(2)14(10-15)8-6-12(7-9-14)13(3,4)5/h10,12H,1,6-9H2,2-5H3
InChIKeyWHMNQHTXVOPOHB-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.98
Rot. Bonds2

About 4-tert-butyl-1-prop-1-en-2-ylcyclohexane-1-carbaldehyde

4-tert-butyl-1-prop-1-en-2-ylcyclohexane-1-carbaldehyde (PubChem CID 13249965) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 4-tert-butyl-1-prop-1-en-2-ylcyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4-tert-butyl-1-prop-1-en-2-ylcyclohexane-1-carbaldehyde
PubChem CID13249965
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name4-tert-butyl-1-prop-1-en-2-ylcyclohexane-1-carbaldehyde
SMILESC=C(C)C1(C=O)CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H24O/c1-11(2)14(10-15)8-6-12(7-9-14)13(3,4)5/h10,12H,1,6-9H2,2-5H3
InChIKeyWHMNQHTXVOPOHB-UHFFFAOYSA-N
XLogP3.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.98
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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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-prop-1-en-2-ylcyclohexane-1-carbaldehyde?
The IUPAC name of 4-tert-butyl-1-prop-1-en-2-ylcyclohexane-1-carbaldehyde (CID 13249965) is 4-tert-butyl-1-prop-1-en-2-ylcyclohexane-1-carbaldehyde.
What is the SMILES notation for 4-tert-butyl-1-prop-1-en-2-ylcyclohexane-1-carbaldehyde?
The canonical SMILES for 4-tert-butyl-1-prop-1-en-2-ylcyclohexane-1-carbaldehyde is C=C(C)C1(C=O)CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1-prop-1-en-2-ylcyclohexane-1-carbaldehyde?
The InChIKey is WHMNQHTXVOPOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-11(2)14(10-15)8-6-12(7-9-14)13(3,4)5/h10,12H,1,6-9H2,2-5H3.
What are the key properties of 4-tert-butyl-1-prop-1-en-2-ylcyclohexane-1-carbaldehyde?
4-tert-butyl-1-prop-1-en-2-ylcyclohexane-1-carbaldehyde has a molecular weight of 208.34 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-prop-1-en-2-ylcyclohexane-1-carbaldehyde is sourced from PubChem (CID 13249965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).