2,5-dimethylcyclohexan-1-ol;propane

C11H24O — CID 142087287

IUPAC2,5-dimethylcyclohexan-1-ol;propane
SMILESCC1CCC(C)C(O)C1.CCC
InChIInChI=1S/C8H16O.C3H8/c1-6-3-4-7(2)8(9)5-6;1-3-2/h6-9H,3-5H2,1-2H3;3H2,1-2H3
InChIKeyWYFWSJMOIYTFCG-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.22
Rot. Bonds

About 2,5-dimethylcyclohexan-1-ol;propane

2,5-dimethylcyclohexan-1-ol;propane (PubChem CID 142087287) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 2,5-dimethylcyclohexan-1-ol;propane.

Molecular Properties

Compound Name2,5-dimethylcyclohexan-1-ol;propane
PubChem CID142087287
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name2,5-dimethylcyclohexan-1-ol;propane
SMILESCC1CCC(C)C(O)C1.CCC
InChIInChI=1S/C8H16O.C3H8/c1-6-3-4-7(2)8(9)5-6;1-3-2/h6-9H,3-5H2,1-2H3;3H2,1-2H3
InChIKeyWYFWSJMOIYTFCG-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2R,5S)-2,5-dimethylcyclohexan-1-ol
CID 12794034
potassium 2,5-dimethylcyclohexan-1-ol
CID 18764424
lithium 2,5-dimethylcyclohexan-1-ol
CID 18764144
(1R)-4-methylcyclohexane-1,2-diol
CID 89138285
(1S,2R,5S)-5-methyl-2-propylcyclohexan-1-ol
CID 11899231
(1S)-2,4-dimethylcyclohexan-1-ol
CID 143035345
(1S,2S,4S)-2,4-dimethylcyclohexan-1-ol
CID 12779508
(1R,2S,4R)-2,4-dimethylcyclohexan-1-ol
CID 12779510
cis-(1S,4R)-2,4-dimethylcyclohexan-1-ol
CID 172581179
trans-(1S,4S)-4-methylcyclohexane-1,3-diol
CID 142273228
2-but-1-en-2-yl-5-methylcyclohexan-1-ol
CID 85263712
5-but-1-en-2-yl-2-methylcyclohexan-1-ol
CID 176942654

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylcyclohexan-1-ol;propane?
The IUPAC name of 2,5-dimethylcyclohexan-1-ol;propane (CID 142087287) is 2,5-dimethylcyclohexan-1-ol;propane.
What is the SMILES notation for 2,5-dimethylcyclohexan-1-ol;propane?
The canonical SMILES for 2,5-dimethylcyclohexan-1-ol;propane is CC1CCC(C)C(O)C1.CCC.
What is the InChIKey of 2,5-dimethylcyclohexan-1-ol;propane?
The InChIKey is WYFWSJMOIYTFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.C3H8/c1-6-3-4-7(2)8(9)5-6;1-3-2/h6-9H,3-5H2,1-2H3;3H2,1-2H3.
What are the key properties of 2,5-dimethylcyclohexan-1-ol;propane?
2,5-dimethylcyclohexan-1-ol;propane has a molecular weight of 172.31 g/mol, XLogP of 3.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylcyclohexan-1-ol;propane is sourced from PubChem (CID 142087287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).