1-[(3,4-dimethoxycyclohexyl)methoxy]-4-methylpentan-1-ol

C15H30O4 — CID 163931399

IUPAC1-[(3,4-dimethoxycyclohexyl)methoxy]-4-methylpentan-1-ol
SMILESCOC1CCC(COC(O)CCC(C)C)CC1OC
InChIInChI=1S/C15H30O4/c1-11(2)5-8-15(16)19-10-12-6-7-13(17-3)14(9-12)18-4/h11-16H,5-10H2,1-4H3
InChIKeyRIYRKOVWPJNKAE-UHFFFAOYSA-N
MW274.40 g/mol
LogP2.59
Rot. Bonds8

About 1-[(3,4-dimethoxycyclohexyl)methoxy]-4-methylpentan-1-ol

1-[(3,4-dimethoxycyclohexyl)methoxy]-4-methylpentan-1-ol (PubChem CID 163931399) has the molecular formula C15H30O4 and a molecular weight of 274.40 g/mol. Its IUPAC name is 1-[(3,4-dimethoxycyclohexyl)methoxy]-4-methylpentan-1-ol.

Molecular Properties

Compound Name1-[(3,4-dimethoxycyclohexyl)methoxy]-4-methylpentan-1-ol
PubChem CID163931399
Molecular FormulaC15H30O4
Molecular Weight274.40 g/mol
Exact Mass274.21
IUPAC Name1-[(3,4-dimethoxycyclohexyl)methoxy]-4-methylpentan-1-ol
SMILESCOC1CCC(COC(O)CCC(C)C)CC1OC
InChIInChI=1S/C15H30O4/c1-11(2)5-8-15(16)19-10-12-6-7-13(17-3)14(9-12)18-4/h11-16H,5-10H2,1-4H3
InChIKeyRIYRKOVWPJNKAE-UHFFFAOYSA-N
XLogP2.59
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[3-(3,4-dimethoxycyclohexyl)propyl]cyclohexan-1-ol
CID 156542299
N'-[(3,4-dimethoxycyclohexyl)methyl]ethane-1,2-diamine
CID 175555316
trans-(1R,2R)-2-methoxy-1-propan-2-yloxy-4-prop-2-ynylcyclohexane
CID 166818984
CID 59733261
CID 59733261
1-(3-methylbutoxy)-2-(4-methylcyclohexyl)ethanol
CID 174965331
1,4-bis(propan-2-yloxymethyl)cyclohexane
CID 18739268
(2R)-1-(cyclopropylmethoxy)-3-[[(2R)-5-methylhexan-2-yl]amino]propan-2-ol
CID 95357731
1-methoxy-4-(3-methylbutyl)cyclohexane
CID 167069345
[4-(5-methylhexan-2-ylamino)cyclohexyl]methanol
CID 103788564
1,2,4-trimethoxycyclohexane
CID 547386
3-methylbutoxymethylcyclopropane
CID 58970607
4-methoxy-N-(6-methylheptan-2-yl)pyrrolidine-2-carboxamide
CID 61254446

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxycyclohexyl)methoxy]-4-methylpentan-1-ol?
The IUPAC name of 1-[(3,4-dimethoxycyclohexyl)methoxy]-4-methylpentan-1-ol (CID 163931399) is 1-[(3,4-dimethoxycyclohexyl)methoxy]-4-methylpentan-1-ol.
What is the SMILES notation for 1-[(3,4-dimethoxycyclohexyl)methoxy]-4-methylpentan-1-ol?
The canonical SMILES for 1-[(3,4-dimethoxycyclohexyl)methoxy]-4-methylpentan-1-ol is COC1CCC(COC(O)CCC(C)C)CC1OC.
What is the InChIKey of 1-[(3,4-dimethoxycyclohexyl)methoxy]-4-methylpentan-1-ol?
The InChIKey is RIYRKOVWPJNKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O4/c1-11(2)5-8-15(16)19-10-12-6-7-13(17-3)14(9-12)18-4/h11-16H,5-10H2,1-4H3.
What are the key properties of 1-[(3,4-dimethoxycyclohexyl)methoxy]-4-methylpentan-1-ol?
1-[(3,4-dimethoxycyclohexyl)methoxy]-4-methylpentan-1-ol has a molecular weight of 274.40 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxycyclohexyl)methoxy]-4-methylpentan-1-ol is sourced from PubChem (CID 163931399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).