(3,5-dimethylcyclohexyl)-(4-methoxyoxan-4-yl)methanol

C15H28O3 — CID 116754065

IUPAC(3,5-dimethylcyclohexyl)-(4-methoxyoxan-4-yl)methanol
SMILESCOC1(C(O)C2CC(C)CC(C)C2)CCOCC1
InChIInChI=1S/C15H28O3/c1-11-8-12(2)10-13(9-11)14(16)15(17-3)4-6-18-7-5-15/h11-14,16H,4-10H2,1-3H3
InChIKeySNMKUISSCSSEPC-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.62
Rot. Bonds3

About (3,5-dimethylcyclohexyl)-(4-methoxyoxan-4-yl)methanol

(3,5-dimethylcyclohexyl)-(4-methoxyoxan-4-yl)methanol (PubChem CID 116754065) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is (3,5-dimethylcyclohexyl)-(4-methoxyoxan-4-yl)methanol.

Molecular Properties

Compound Name(3,5-dimethylcyclohexyl)-(4-methoxyoxan-4-yl)methanol
PubChem CID116754065
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name(3,5-dimethylcyclohexyl)-(4-methoxyoxan-4-yl)methanol
SMILESCOC1(C(O)C2CC(C)CC(C)C2)CCOCC1
InChIInChI=1S/C15H28O3/c1-11-8-12(2)10-13(9-11)14(16)15(17-3)4-6-18-7-5-15/h11-14,16H,4-10H2,1-3H3
InChIKeySNMKUISSCSSEPC-UHFFFAOYSA-N
XLogP2.62
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylcyclohexyl)-(4-methoxyoxan-4-yl)methanol?
The IUPAC name of (3,5-dimethylcyclohexyl)-(4-methoxyoxan-4-yl)methanol (CID 116754065) is (3,5-dimethylcyclohexyl)-(4-methoxyoxan-4-yl)methanol.
What is the SMILES notation for (3,5-dimethylcyclohexyl)-(4-methoxyoxan-4-yl)methanol?
The canonical SMILES for (3,5-dimethylcyclohexyl)-(4-methoxyoxan-4-yl)methanol is COC1(C(O)C2CC(C)CC(C)C2)CCOCC1.
What is the InChIKey of (3,5-dimethylcyclohexyl)-(4-methoxyoxan-4-yl)methanol?
The InChIKey is SNMKUISSCSSEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-11-8-12(2)10-13(9-11)14(16)15(17-3)4-6-18-7-5-15/h11-14,16H,4-10H2,1-3H3.
What are the key properties of (3,5-dimethylcyclohexyl)-(4-methoxyoxan-4-yl)methanol?
(3,5-dimethylcyclohexyl)-(4-methoxyoxan-4-yl)methanol has a molecular weight of 256.39 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylcyclohexyl)-(4-methoxyoxan-4-yl)methanol is sourced from PubChem (CID 116754065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).