2-(1,3,3-trimethyl-2-methylidenecyclohexyl)acetaldehyde

C12H20O — CID 10910159

IUPAC2-(1,3,3-trimethyl-2-methylidenecyclohexyl)acetaldehyde
SMILESC=C1C(C)(C)CCCC1(C)CC=O
InChIInChI=1S/C12H20O/c1-10-11(2,3)6-5-7-12(10,4)8-9-13/h9H,1,5-8H2,2-4H3
InChIKeyIMHFTZPAXGSOOC-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.35
Rot. Bonds2

About 2-(1,3,3-trimethyl-2-methylidenecyclohexyl)acetaldehyde

2-(1,3,3-trimethyl-2-methylidenecyclohexyl)acetaldehyde (PubChem CID 10910159) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-(1,3,3-trimethyl-2-methylidenecyclohexyl)acetaldehyde.

Molecular Properties

Compound Name2-(1,3,3-trimethyl-2-methylidenecyclohexyl)acetaldehyde
PubChem CID10910159
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name2-(1,3,3-trimethyl-2-methylidenecyclohexyl)acetaldehyde
SMILESC=C1C(C)(C)CCCC1(C)CC=O
InChIInChI=1S/C12H20O/c1-10-11(2,3)6-5-7-12(10,4)8-9-13/h9H,1,5-8H2,2-4H3
InChIKeyIMHFTZPAXGSOOC-UHFFFAOYSA-N
XLogP3.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.35
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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Related Compounds

2-(1-methylcyclopropyl)acetaldehyde
CID 13464501
2-(1-ethylcyclobutyl)acetaldehyde
CID 130601222
2,6-dimethyl-6-prop-2-enylcyclohexene-1-carbaldehyde
CID 121014603
2-(2,6,6-trimethyloxan-2-yl)acetaldehyde
CID 88884784
3-methyl-3-prop-2-enylcyclohexane-1,2-dione
CID 13156859
2,2-dimethyl-6-nitro-6-prop-2-enylcyclohexan-1-one
CID 85280087
2-(2-methyloxan-2-yl)acetaldehyde
CID 165478002
2-(1-hydroxy-4,4-dimethylcyclohexyl)acetaldehyde
CID 114795274
2-(4-methylpiperidin-4-yl)acetaldehyde
CID 59311929
2-(1-methylsulfonylcyclobutyl)acetaldehyde
CID 158561521
3-methyl-3-prop-2-enyloxepan-2-one
CID 174899339
2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]acetaldehyde
CID 19595639

Frequently Asked Questions

What is the IUPAC name of 2-(1,3,3-trimethyl-2-methylidenecyclohexyl)acetaldehyde?
The IUPAC name of 2-(1,3,3-trimethyl-2-methylidenecyclohexyl)acetaldehyde (CID 10910159) is 2-(1,3,3-trimethyl-2-methylidenecyclohexyl)acetaldehyde.
What is the SMILES notation for 2-(1,3,3-trimethyl-2-methylidenecyclohexyl)acetaldehyde?
The canonical SMILES for 2-(1,3,3-trimethyl-2-methylidenecyclohexyl)acetaldehyde is C=C1C(C)(C)CCCC1(C)CC=O.
What is the InChIKey of 2-(1,3,3-trimethyl-2-methylidenecyclohexyl)acetaldehyde?
The InChIKey is IMHFTZPAXGSOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-10-11(2,3)6-5-7-12(10,4)8-9-13/h9H,1,5-8H2,2-4H3.
What are the key properties of 2-(1,3,3-trimethyl-2-methylidenecyclohexyl)acetaldehyde?
2-(1,3,3-trimethyl-2-methylidenecyclohexyl)acetaldehyde has a molecular weight of 180.29 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,3-trimethyl-2-methylidenecyclohexyl)acetaldehyde is sourced from PubChem (CID 10910159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).