iodomethane;4-(4-methoxycyclohexyl)-2,4-dimethylpentan-2-ol

C15H31IO2 — CID 142256973

IUPACiodomethane;4-(4-methoxycyclohexyl)-2,4-dimethylpentan-2-ol
SMILESCI.COC1CCC(C(C)(C)CC(C)(C)O)CC1
InChIInChI=1S/C14H28O2.CH3I/c1-13(2,10-14(3,4)15)11-6-8-12(16-5)9-7-11;1-2/h11-12,15H,6-10H2,1-5H3;1H3
InChIKeyZQBCYFGVPCWHHR-UHFFFAOYSA-N
MW370.32 g/mol
LogP4.43
Rot. Bonds4

About iodomethane;4-(4-methoxycyclohexyl)-2,4-dimethylpentan-2-ol

iodomethane;4-(4-methoxycyclohexyl)-2,4-dimethylpentan-2-ol (PubChem CID 142256973) has the molecular formula C15H31IO2 and a molecular weight of 370.32 g/mol. Its IUPAC name is iodomethane;4-(4-methoxycyclohexyl)-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Nameiodomethane;4-(4-methoxycyclohexyl)-2,4-dimethylpentan-2-ol
PubChem CID142256973
Molecular FormulaC15H31IO2
Molecular Weight370.32 g/mol
Exact Mass370.14
IUPAC Nameiodomethane;4-(4-methoxycyclohexyl)-2,4-dimethylpentan-2-ol
SMILESCI.COC1CCC(C(C)(C)CC(C)(C)O)CC1
InChIInChI=1S/C14H28O2.CH3I/c1-13(2,10-14(3,4)15)11-6-8-12(16-5)9-7-11;1-2/h11-12,15H,6-10H2,1-5H3;1H3
InChIKeyZQBCYFGVPCWHHR-UHFFFAOYSA-N
XLogP4.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-4-(2,5,5-trimethylhexan-2-yl)cyclohexane
CID 162054720
ethane-1,2-diol;methoxycyclopropane
CID 174681664
1-[4-[2-(4-methoxycyclohexyl)propan-2-yl]cyclohexyl]propan-2-one
CID 66804444
1-(1-iodo-2-methylpropan-2-yl)oxy-4-methoxycyclohexane
CID 165493535
2-hydroxy-1-(4-methoxycyclohexyl)-2-methylpropan-1-one
CID 118486366
1-(cyclohexylmethyl)-4-methoxycyclohexane
CID 139535555
2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 154735179
2-[2-[2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 154735181
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 154735188
1-methoxy-4-[2-[4-(2-methoxypropoxy)cyclohexyl]propan-2-yl]cyclohexane
CID 145052440
1-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(2,4,4-trimethylpentan-2-yl)cyclohexane
CID 121440065
1-amino-2-cyclopropyl-3-methoxypropan-2-ol
CID 64813573

Frequently Asked Questions

What is the IUPAC name of iodomethane;4-(4-methoxycyclohexyl)-2,4-dimethylpentan-2-ol?
The IUPAC name of iodomethane;4-(4-methoxycyclohexyl)-2,4-dimethylpentan-2-ol (CID 142256973) is iodomethane;4-(4-methoxycyclohexyl)-2,4-dimethylpentan-2-ol.
What is the SMILES notation for iodomethane;4-(4-methoxycyclohexyl)-2,4-dimethylpentan-2-ol?
The canonical SMILES for iodomethane;4-(4-methoxycyclohexyl)-2,4-dimethylpentan-2-ol is CI.COC1CCC(C(C)(C)CC(C)(C)O)CC1.
What is the InChIKey of iodomethane;4-(4-methoxycyclohexyl)-2,4-dimethylpentan-2-ol?
The InChIKey is ZQBCYFGVPCWHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2.CH3I/c1-13(2,10-14(3,4)15)11-6-8-12(16-5)9-7-11;1-2/h11-12,15H,6-10H2,1-5H3;1H3.
What are the key properties of iodomethane;4-(4-methoxycyclohexyl)-2,4-dimethylpentan-2-ol?
iodomethane;4-(4-methoxycyclohexyl)-2,4-dimethylpentan-2-ol has a molecular weight of 370.32 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iodomethane;4-(4-methoxycyclohexyl)-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 142256973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).