3,3-dimethylcyclobutane-1-carbaldehyde;(3,3-dimethylcyclobutyl)methanol

C14H26O2 — CID 161058760

IUPAC3,3-dimethylcyclobutane-1-carbaldehyde;(3,3-dimethylcyclobutyl)methanol
SMILESCC1(C)CC(C=O)C1.CC1(C)CC(CO)C1
InChIInChI=1S/C7H14O.C7H12O/c2*1-7(2)3-6(4-7)5-8/h6,8H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3
InChIKeyUDCNSKKZXICKFR-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.04
Rot. Bonds2

About 3,3-dimethylcyclobutane-1-carbaldehyde;(3,3-dimethylcyclobutyl)methanol

3,3-dimethylcyclobutane-1-carbaldehyde;(3,3-dimethylcyclobutyl)methanol (PubChem CID 161058760) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 3,3-dimethylcyclobutane-1-carbaldehyde;(3,3-dimethylcyclobutyl)methanol.

Molecular Properties

Compound Name3,3-dimethylcyclobutane-1-carbaldehyde;(3,3-dimethylcyclobutyl)methanol
PubChem CID161058760
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name3,3-dimethylcyclobutane-1-carbaldehyde;(3,3-dimethylcyclobutyl)methanol
SMILESCC1(C)CC(C=O)C1.CC1(C)CC(CO)C1
InChIInChI=1S/C7H14O.C7H12O/c2*1-7(2)3-6(4-7)5-8/h6,8H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3
InChIKeyUDCNSKKZXICKFR-UHFFFAOYSA-N
XLogP3.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(hydroxymethyl)cyclohexane-1-carbaldehyde
CID 523023
[(1S)-3,3-dimethylcyclopentyl]methanol
CID 159914707
cyclopentanecarbaldehyde;cyclopentylmethanol
CID 161180132
(3,3-dimethylcyclohexyl)methanol
CID 14034040
methyl 2-(3,3-dimethylcyclobutyl)acetate
CID 15457661
(3,3-dimethyl-8-bicyclo[3.2.1]octanyl)methanol
CID 115013484
methyl 3-(hydroxymethyl)-1-methoxycyclobutane-1-carboxylate
CID 178200449
3-(3,3-dimethylcyclobutyl)-2-fluoropropanoic acid
CID 122239871
(6-ethylspiro[3.3]heptan-2-yl)methanol
CID 122429211
formic acid;[4-(hydroxymethyl)cyclohexyl]methanol
CID 158057171
cyclopropylmethanol;formic acid
CID 174831416
(4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-2-yl)methanol
CID 78109943

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylcyclobutane-1-carbaldehyde;(3,3-dimethylcyclobutyl)methanol?
The IUPAC name of 3,3-dimethylcyclobutane-1-carbaldehyde;(3,3-dimethylcyclobutyl)methanol (CID 161058760) is 3,3-dimethylcyclobutane-1-carbaldehyde;(3,3-dimethylcyclobutyl)methanol.
What is the SMILES notation for 3,3-dimethylcyclobutane-1-carbaldehyde;(3,3-dimethylcyclobutyl)methanol?
The canonical SMILES for 3,3-dimethylcyclobutane-1-carbaldehyde;(3,3-dimethylcyclobutyl)methanol is CC1(C)CC(C=O)C1.CC1(C)CC(CO)C1.
What is the InChIKey of 3,3-dimethylcyclobutane-1-carbaldehyde;(3,3-dimethylcyclobutyl)methanol?
The InChIKey is UDCNSKKZXICKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.C7H12O/c2*1-7(2)3-6(4-7)5-8/h6,8H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3.
What are the key properties of 3,3-dimethylcyclobutane-1-carbaldehyde;(3,3-dimethylcyclobutyl)methanol?
3,3-dimethylcyclobutane-1-carbaldehyde;(3,3-dimethylcyclobutyl)methanol has a molecular weight of 226.36 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylcyclobutane-1-carbaldehyde;(3,3-dimethylcyclobutyl)methanol is sourced from PubChem (CID 161058760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).