cyclohexane-1,2-diol;ethane;propane

C14H34O2 — CID 143149782

IUPACcyclohexane-1,2-diol;ethane;propane
SMILESCC.CCC.CCC.OC1CCCCC1O
InChIInChI=1S/C6H12O2.2C3H8.C2H6/c7-5-3-1-2-4-6(5)8;2*1-3-2;1-2/h5-8H,1-4H2;2*3H2,1-2H3;1-2H3
InChIKeyMDUZFCMKUPJBCR-UHFFFAOYSA-N
MW234.42 g/mol
LogP4.14
Rot. Bonds

About cyclohexane-1,2-diol;ethane;propane

cyclohexane-1,2-diol;ethane;propane (PubChem CID 143149782) has the molecular formula C14H34O2 and a molecular weight of 234.42 g/mol. Its IUPAC name is cyclohexane-1,2-diol;ethane;propane.

Molecular Properties

Compound Namecyclohexane-1,2-diol;ethane;propane
PubChem CID143149782
Molecular FormulaC14H34O2
Molecular Weight234.42 g/mol
Exact Mass234.26
IUPAC Namecyclohexane-1,2-diol;ethane;propane
SMILESCC.CCC.CCC.OC1CCCCC1O
InChIInChI=1S/C6H12O2.2C3H8.C2H6/c7-5-3-1-2-4-6(5)8;2*1-3-2;1-2/h5-8H,1-4H2;2*3H2,1-2H3;1-2H3
InChIKeyMDUZFCMKUPJBCR-UHFFFAOYSA-N
XLogP4.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.42
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-1,2-Cyclohexanediol
CID 92886
cis-1,2-Cyclohexanediol
CID 92903
1,2-Cyclohexanediol
CID 13601
Cyclohexanol, 2-ethoxy-
CID 98428
1,2-Cyclohexanediol, (1S-trans)-
CID 7057110
rel-(1R,2R)-2-Methoxycyclohexanol
CID 11051680
Cyclohexanol, 2-methoxy-
CID 102911
(1S,2S)-2-Methoxycyclohexanol
CID 10197706
rac-(1R,2S)-2-methoxycyclohexan-1-ol
CID 10654249
trans-2-Ethoxy-cyclohexanol
CID 10920634
2-Isopropoxycyclohexan-1-ol
CID 102912
2-Hydroperoxycyclohexan-1-ol
CID 188068

Frequently Asked Questions

What is the IUPAC name of cyclohexane-1,2-diol;ethane;propane?
The IUPAC name of cyclohexane-1,2-diol;ethane;propane (CID 143149782) is cyclohexane-1,2-diol;ethane;propane.
What is the SMILES notation for cyclohexane-1,2-diol;ethane;propane?
The canonical SMILES for cyclohexane-1,2-diol;ethane;propane is CC.CCC.CCC.OC1CCCCC1O.
What is the InChIKey of cyclohexane-1,2-diol;ethane;propane?
The InChIKey is MDUZFCMKUPJBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.2C3H8.C2H6/c7-5-3-1-2-4-6(5)8;2*1-3-2;1-2/h5-8H,1-4H2;2*3H2,1-2H3;1-2H3.
What are the key properties of cyclohexane-1,2-diol;ethane;propane?
cyclohexane-1,2-diol;ethane;propane has a molecular weight of 234.42 g/mol, XLogP of 4.14, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane-1,2-diol;ethane;propane is sourced from PubChem (CID 143149782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).