1-tert-butyl-4-hexan-2-yloxycyclohexane

C16H32O — CID 126552494

IUPAC1-tert-butyl-4-hexan-2-yloxycyclohexane
SMILESCCCCC(C)OC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H32O/c1-6-7-8-13(2)17-15-11-9-14(10-12-15)16(3,4)5/h13-15H,6-12H2,1-5H3
InChIKeyUGTJPYHKXYRHAL-UHFFFAOYSA-N
MW240.43 g/mol
LogP5.19
Rot. Bonds5

About 1-tert-butyl-4-hexan-2-yloxycyclohexane

1-tert-butyl-4-hexan-2-yloxycyclohexane (PubChem CID 126552494) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is 1-tert-butyl-4-hexan-2-yloxycyclohexane.

Molecular Properties

Compound Name1-tert-butyl-4-hexan-2-yloxycyclohexane
PubChem CID126552494
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Name1-tert-butyl-4-hexan-2-yloxycyclohexane
SMILESCCCCC(C)OC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H32O/c1-6-7-8-13(2)17-15-11-9-14(10-12-15)16(3,4)5/h13-15H,6-12H2,1-5H3
InChIKeyUGTJPYHKXYRHAL-UHFFFAOYSA-N
XLogP5.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.43
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-heptan-2-yloxy-4-methylcyclohexane
CID 71132789
4-tert-butyl-N-methyl-2-octan-2-yloxycyclohexan-1-amine
CID 63474931
1-(4-octan-2-yloxycyclohexyl)-2-(4-pentylcyclohexyl)ethanone
CID 156679225
4-(4-octan-2-yloxycyclohexyl)cyclohexane-1-carbonitrile
CID 57125938
1-tert-butyl-4-tetradecylcyclohexane
CID 71420445
1-(4-tert-butylcyclohexyl)heptan-1-ol
CID 65400919
1-(4-tert-butylcyclohexyl)-N-methylpentan-1-amine
CID 65402958
1-(1-methoxybutoxy)-4-(2-methoxypropan-2-yl)cyclohexane
CID 123666690
1,2-di(heptan-2-yloxy)cyclohexane
CID 91603551
(2R,3R)-2,3-bis[(4-tert-butylcyclohexyl)oxy]butanedioic acid
CID 70926789
1-(4-tert-butylcyclohexyl)-N-ethylheptan-1-amine
CID 65414527
1-butan-2-yloxy-4-pentan-2-ylcyclohexane
CID 123764512

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-hexan-2-yloxycyclohexane?
The IUPAC name of 1-tert-butyl-4-hexan-2-yloxycyclohexane (CID 126552494) is 1-tert-butyl-4-hexan-2-yloxycyclohexane.
What is the SMILES notation for 1-tert-butyl-4-hexan-2-yloxycyclohexane?
The canonical SMILES for 1-tert-butyl-4-hexan-2-yloxycyclohexane is CCCCC(C)OC1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-hexan-2-yloxycyclohexane?
The InChIKey is UGTJPYHKXYRHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O/c1-6-7-8-13(2)17-15-11-9-14(10-12-15)16(3,4)5/h13-15H,6-12H2,1-5H3.
What are the key properties of 1-tert-butyl-4-hexan-2-yloxycyclohexane?
1-tert-butyl-4-hexan-2-yloxycyclohexane has a molecular weight of 240.43 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-hexan-2-yloxycyclohexane is sourced from PubChem (CID 126552494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).