(3,4-dimethylcyclohexyl)-(1-methoxycyclobutyl)methanol

C14H26O2 — CID 116710410

IUPAC(3,4-dimethylcyclohexyl)-(1-methoxycyclobutyl)methanol
SMILESCOC1(C(O)C2CCC(C)C(C)C2)CCC1
InChIInChI=1S/C14H26O2/c1-10-5-6-12(9-11(10)2)13(15)14(16-3)7-4-8-14/h10-13,15H,4-9H2,1-3H3
InChIKeyIPPJIWWSZVFEJN-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.99
Rot. Bonds3

About (3,4-dimethylcyclohexyl)-(1-methoxycyclobutyl)methanol

(3,4-dimethylcyclohexyl)-(1-methoxycyclobutyl)methanol (PubChem CID 116710410) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is (3,4-dimethylcyclohexyl)-(1-methoxycyclobutyl)methanol.

Molecular Properties

Compound Name(3,4-dimethylcyclohexyl)-(1-methoxycyclobutyl)methanol
PubChem CID116710410
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name(3,4-dimethylcyclohexyl)-(1-methoxycyclobutyl)methanol
SMILESCOC1(C(O)C2CCC(C)C(C)C2)CCC1
InChIInChI=1S/C14H26O2/c1-10-5-6-12(9-11(10)2)13(15)14(16-3)7-4-8-14/h10-13,15H,4-9H2,1-3H3
InChIKeyIPPJIWWSZVFEJN-UHFFFAOYSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-(1-methoxycycloheptyl)methanol
CID 116755940
1-(3,4-dimethylcyclohexyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine
CID 116770194
(1-methoxycyclobutyl)-(oxan-4-yl)methanol
CID 116710425
cyclopropyl-(1-methoxy-4,4-dimethylcyclohexyl)methanol
CID 116755683
(3,4-dimethylcyclohexyl)-(1-methoxy-4-methylcyclohexyl)methanamine
CID 116766285
(3,4-dimethylcyclohexyl)-(1-ethoxycyclopentyl)methanamine
CID 116761764
1-(3,4-dimethylcyclohexyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103559423
(3,5-dimethylcyclohexyl)-(4-methoxyoxan-4-yl)methanol
CID 116754065
(4-methoxyoxan-4-yl)-(oxan-4-yl)methanol
CID 116753889
[(3,4-dimethylcyclohexyl)-(1-ethoxycycloheptyl)methyl]hydrazine
CID 105278479
N-[(3,4-dimethylcyclohexyl)-(1-ethoxycyclohexyl)methyl]ethanamine
CID 116764131
3-(3,4-dimethylcyclohexyl)butan-2-ol
CID 79424372

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylcyclohexyl)-(1-methoxycyclobutyl)methanol?
The IUPAC name of (3,4-dimethylcyclohexyl)-(1-methoxycyclobutyl)methanol (CID 116710410) is (3,4-dimethylcyclohexyl)-(1-methoxycyclobutyl)methanol.
What is the SMILES notation for (3,4-dimethylcyclohexyl)-(1-methoxycyclobutyl)methanol?
The canonical SMILES for (3,4-dimethylcyclohexyl)-(1-methoxycyclobutyl)methanol is COC1(C(O)C2CCC(C)C(C)C2)CCC1.
What is the InChIKey of (3,4-dimethylcyclohexyl)-(1-methoxycyclobutyl)methanol?
The InChIKey is IPPJIWWSZVFEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-10-5-6-12(9-11(10)2)13(15)14(16-3)7-4-8-14/h10-13,15H,4-9H2,1-3H3.
What are the key properties of (3,4-dimethylcyclohexyl)-(1-methoxycyclobutyl)methanol?
(3,4-dimethylcyclohexyl)-(1-methoxycyclobutyl)methanol has a molecular weight of 226.36 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylcyclohexyl)-(1-methoxycyclobutyl)methanol is sourced from PubChem (CID 116710410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).