3-(3,3-dimethylcyclohexyl)-2,2-dimethyloxolane

C14H26O — CID 101089665

IUPAC3-(3,3-dimethylcyclohexyl)-2,2-dimethyloxolane
SMILESCC1(C)CCCC(C2CCOC2(C)C)C1
InChIInChI=1S/C14H26O/c1-13(2)8-5-6-11(10-13)12-7-9-15-14(12,3)4/h11-12H,5-10H2,1-4H3
InChIKeyCHHTVWOYHCHKNS-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.02
Rot. Bonds1

About 3-(3,3-dimethylcyclohexyl)-2,2-dimethyloxolane

3-(3,3-dimethylcyclohexyl)-2,2-dimethyloxolane (PubChem CID 101089665) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 3-(3,3-dimethylcyclohexyl)-2,2-dimethyloxolane.

Molecular Properties

Compound Name3-(3,3-dimethylcyclohexyl)-2,2-dimethyloxolane
PubChem CID101089665
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name3-(3,3-dimethylcyclohexyl)-2,2-dimethyloxolane
SMILESCC1(C)CCCC(C2CCOC2(C)C)C1
InChIInChI=1S/C14H26O/c1-13(2)8-5-6-11(10-13)12-7-9-15-14(12,3)4/h11-12H,5-10H2,1-4H3
InChIKeyCHHTVWOYHCHKNS-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

10-(3,3-dimethylcyclohexyl)spiro[4.5]decane
CID 90804483
4,4,8,8-tetramethyl-1,2,3,5,5a,6,7,9,10,10a-decahydroheptalene
CID 123277009
7,7-dimethyl-5,5a,6,8,9,10,10a,11-octahydrocyclohepta[b]naphthalene
CID 144542700
(3,3-dimethylcyclohexyl)methanol
CID 14034040
cobalt;1,1,3-trimethylcyclohexane
CID 70372264
ethane;1,1,3-trimethylcyclohexane;(3S)-1,1,3-trimethylcyclohexane
CID 169190752
(1R,3R,7R,8S)-1,3-dimethyl-2-oxatricyclo[5.3.1.03,8]undecane
CID 162875339
11,11-dimethyl-3,5,7-trioxatetracyclo[7.7.1.02,4.06,8]heptadecane
CID 123252680
2,4,4,9-tetramethylbicyclo[6.1.0]nonane
CID 123967935
(3R)-2,2-dimethyloxolan-3-ol
CID 13327311
N-(3,3-dimethylcyclohexyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 112682231
N,N,3,3-tetramethylcyclohexan-1-amine
CID 70268613

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylcyclohexyl)-2,2-dimethyloxolane?
The IUPAC name of 3-(3,3-dimethylcyclohexyl)-2,2-dimethyloxolane (CID 101089665) is 3-(3,3-dimethylcyclohexyl)-2,2-dimethyloxolane.
What is the SMILES notation for 3-(3,3-dimethylcyclohexyl)-2,2-dimethyloxolane?
The canonical SMILES for 3-(3,3-dimethylcyclohexyl)-2,2-dimethyloxolane is CC1(C)CCCC(C2CCOC2(C)C)C1.
What is the InChIKey of 3-(3,3-dimethylcyclohexyl)-2,2-dimethyloxolane?
The InChIKey is CHHTVWOYHCHKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-13(2)8-5-6-11(10-13)12-7-9-15-14(12,3)4/h11-12H,5-10H2,1-4H3.
What are the key properties of 3-(3,3-dimethylcyclohexyl)-2,2-dimethyloxolane?
3-(3,3-dimethylcyclohexyl)-2,2-dimethyloxolane has a molecular weight of 210.36 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylcyclohexyl)-2,2-dimethyloxolane is sourced from PubChem (CID 101089665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).