1-(ethoxymethyl)-3-propan-2-ylcyclohexan-1-ol

C12H24O2 — CID 107449768

IUPAC1-(ethoxymethyl)-3-propan-2-ylcyclohexan-1-ol
SMILESCCOCC1(O)CCCC(C(C)C)C1
InChIInChI=1S/C12H24O2/c1-4-14-9-12(13)7-5-6-11(8-12)10(2)3/h10-11,13H,4-9H2,1-3H3
InChIKeyCKYACIDDAGFTMM-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.60
Rot. Bonds4

About 1-(ethoxymethyl)-3-propan-2-ylcyclohexan-1-ol

1-(ethoxymethyl)-3-propan-2-ylcyclohexan-1-ol (PubChem CID 107449768) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1-(ethoxymethyl)-3-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(ethoxymethyl)-3-propan-2-ylcyclohexan-1-ol
PubChem CID107449768
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name1-(ethoxymethyl)-3-propan-2-ylcyclohexan-1-ol
SMILESCCOCC1(O)CCCC(C(C)C)C1
InChIInChI=1S/C12H24O2/c1-4-14-9-12(13)7-5-6-11(8-12)10(2)3/h10-11,13H,4-9H2,1-3H3
InChIKeyCKYACIDDAGFTMM-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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Related Compounds

1-(methylaminomethyl)-3-propan-2-ylcyclohexan-1-ol
CID 107450419
2-(1-hydroxy-3-propan-2-ylcyclohexyl)acetic acid
CID 83908321
3-propan-2-yl-1-prop-2-ynylcyclohexan-1-ol
CID 107449756
4-(ethoxymethyl)-2-propan-2-yloxan-4-ol
CID 79567400
1-(3-ethylsulfonylpropyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449692
1-(ethoxymethyl)-4,4-dimethylcycloheptan-1-ol
CID 79567542
3-methyl-1-(propoxymethyl)cyclohexan-1-ol
CID 79567780
1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449763
(3-propan-2-yl-1-propoxycyclohexyl)methanol
CID 165490015
2-ethoxy-1-(ethoxymethyl)-1-propan-2-ylcyclopentane
CID 86091292
1-[(2-methoxyphenyl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107449892
1-[(2,4-difluorophenyl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107449843

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-3-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-(ethoxymethyl)-3-propan-2-ylcyclohexan-1-ol (CID 107449768) is 1-(ethoxymethyl)-3-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-(ethoxymethyl)-3-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-(ethoxymethyl)-3-propan-2-ylcyclohexan-1-ol is CCOCC1(O)CCCC(C(C)C)C1.
What is the InChIKey of 1-(ethoxymethyl)-3-propan-2-ylcyclohexan-1-ol?
The InChIKey is CKYACIDDAGFTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-4-14-9-12(13)7-5-6-11(8-12)10(2)3/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 1-(ethoxymethyl)-3-propan-2-ylcyclohexan-1-ol?
1-(ethoxymethyl)-3-propan-2-ylcyclohexan-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 1-(ethoxymethyl)-3-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 107449768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).