2,2-dimethyl-3-(3-methylcyclohexyl)oxypropan-1-ol

C12H24O2 — CID 81217769

IUPAC2,2-dimethyl-3-(3-methylcyclohexyl)oxypropan-1-ol
SMILESCC1CCCC(OCC(C)(C)CO)C1
InChIInChI=1S/C12H24O2/c1-10-5-4-6-11(7-10)14-9-12(2,3)8-13/h10-11,13H,4-9H2,1-3H3
InChIKeyLEQUWXMIAKVISL-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.60
Rot. Bonds4

About 2,2-dimethyl-3-(3-methylcyclohexyl)oxypropan-1-ol

2,2-dimethyl-3-(3-methylcyclohexyl)oxypropan-1-ol (PubChem CID 81217769) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2,2-dimethyl-3-(3-methylcyclohexyl)oxypropan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(3-methylcyclohexyl)oxypropan-1-ol
PubChem CID81217769
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name2,2-dimethyl-3-(3-methylcyclohexyl)oxypropan-1-ol
SMILESCC1CCCC(OCC(C)(C)CO)C1
InChIInChI=1S/C12H24O2/c1-10-5-4-6-11(7-10)14-9-12(2,3)8-13/h10-11,13H,4-9H2,1-3H3
InChIKeyLEQUWXMIAKVISL-UHFFFAOYSA-N
XLogP2.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(3-methylcyclohexyl)oxypropan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(3-methylcyclohexyl)oxypropan-1-ol (CID 81217769) is 2,2-dimethyl-3-(3-methylcyclohexyl)oxypropan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(3-methylcyclohexyl)oxypropan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(3-methylcyclohexyl)oxypropan-1-ol is CC1CCCC(OCC(C)(C)CO)C1.
What is the InChIKey of 2,2-dimethyl-3-(3-methylcyclohexyl)oxypropan-1-ol?
The InChIKey is LEQUWXMIAKVISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-10-5-4-6-11(7-10)14-9-12(2,3)8-13/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-(3-methylcyclohexyl)oxypropan-1-ol?
2,2-dimethyl-3-(3-methylcyclohexyl)oxypropan-1-ol has a molecular weight of 200.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(3-methylcyclohexyl)oxypropan-1-ol is sourced from PubChem (CID 81217769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).