3,4-di(propan-2-yl)-2-[2-(2-propan-2-ylcyclohexyl)propyl]oxane

C23H44O — CID 134460261

IUPAC3,4-di(propan-2-yl)-2-[2-(2-propan-2-ylcyclohexyl)propyl]oxane
SMILESCC(C)C1CCCCC1C(C)CC1OCCC(C(C)C)C1C(C)C
InChIInChI=1S/C23H44O/c1-15(2)19-10-8-9-11-21(19)18(7)14-22-23(17(5)6)20(16(3)4)12-13-24-22/h15-23H,8-14H2,1-7H3
InChIKeyNQZSZTJIKIMMRH-UHFFFAOYSA-N
MW336.60 g/mol
LogP6.81
Rot. Bonds6

About 3,4-di(propan-2-yl)-2-[2-(2-propan-2-ylcyclohexyl)propyl]oxane

3,4-di(propan-2-yl)-2-[2-(2-propan-2-ylcyclohexyl)propyl]oxane (PubChem CID 134460261) has the molecular formula C23H44O and a molecular weight of 336.60 g/mol. Its IUPAC name is 3,4-di(propan-2-yl)-2-[2-(2-propan-2-ylcyclohexyl)propyl]oxane.

Molecular Properties

Compound Name3,4-di(propan-2-yl)-2-[2-(2-propan-2-ylcyclohexyl)propyl]oxane
PubChem CID134460261
Molecular FormulaC23H44O
Molecular Weight336.60 g/mol
Exact Mass336.34
IUPAC Name3,4-di(propan-2-yl)-2-[2-(2-propan-2-ylcyclohexyl)propyl]oxane
SMILESCC(C)C1CCCCC1C(C)CC1OCCC(C(C)C)C1C(C)C
InChIInChI=1S/C23H44O/c1-15(2)19-10-8-9-11-21(19)18(7)14-22-23(17(5)6)20(16(3)4)12-13-24-22/h15-23H,8-14H2,1-7H3
InChIKeyNQZSZTJIKIMMRH-UHFFFAOYSA-N
XLogP6.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.60
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1,2-di(propan-2-yl)cyclopentane
CID 161356354
1-(2-propan-2-ylcyclopentyl)ethylcyclohexane
CID 142386797
cis-(1R,2S)-1,2-di(propan-2-yl)cyclohexane;1,2-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)cyclohexane;1,4-di(propan-2-yl)cyclohexane;trans-(1S,2S)-1,2-di(propan-2-yl)cyclohexane
CID 162051954
bis(cis-(1S,2R)-1,2-di(propan-2-yl)cyclopentane);2,3-di(propan-2-yl)oxolane;(2R,3S)-2,3-di(propan-2-yl)oxolane;(2S,3R)-2,3-di(propan-2-yl)oxolane;bis((3S,4R)-3,4-di(propan-2-yl)oxolane);(3S,4S)-3,4-di(propan-2-yl)oxolane;trans-(1S,2S)-1,2-di(propan-2-yl)cyclopentane
CID 159738816
2-[1-[(3S,4S)-3-hydroxy-4-propan-2-ylcyclopentyl]propan-2-yl]cyclohexan-1-ol
CID 139383930
(2S,3S)-3-propan-2-yloxolan-2-ol
CID 138639961
3-propan-2-yloxolan-2-ol
CID 130130760
(3R,4S)-4-tert-butyl-2-[2-(3-methoxyoxan-4-yl)propyl]oxan-3-ol
CID 146570273
trans-(1R,2S)-1-(2-methylpropyl)-2-propan-2-ylcyclohexane
CID 59105659
1-(1-fluoroethyl)-2,3-di(propan-2-yl)cyclohexane
CID 175612345
2-[[(2-propan-2-yloxan-4-yl)amino]methyl]cyclohexan-1-ol
CID 64928884
N,N-dimethyl-3-propan-2-yloxepan-2-amine
CID 137487098

Frequently Asked Questions

What is the IUPAC name of 3,4-di(propan-2-yl)-2-[2-(2-propan-2-ylcyclohexyl)propyl]oxane?
The IUPAC name of 3,4-di(propan-2-yl)-2-[2-(2-propan-2-ylcyclohexyl)propyl]oxane (CID 134460261) is 3,4-di(propan-2-yl)-2-[2-(2-propan-2-ylcyclohexyl)propyl]oxane.
What is the SMILES notation for 3,4-di(propan-2-yl)-2-[2-(2-propan-2-ylcyclohexyl)propyl]oxane?
The canonical SMILES for 3,4-di(propan-2-yl)-2-[2-(2-propan-2-ylcyclohexyl)propyl]oxane is CC(C)C1CCCCC1C(C)CC1OCCC(C(C)C)C1C(C)C.
What is the InChIKey of 3,4-di(propan-2-yl)-2-[2-(2-propan-2-ylcyclohexyl)propyl]oxane?
The InChIKey is NQZSZTJIKIMMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44O/c1-15(2)19-10-8-9-11-21(19)18(7)14-22-23(17(5)6)20(16(3)4)12-13-24-22/h15-23H,8-14H2,1-7H3.
What are the key properties of 3,4-di(propan-2-yl)-2-[2-(2-propan-2-ylcyclohexyl)propyl]oxane?
3,4-di(propan-2-yl)-2-[2-(2-propan-2-ylcyclohexyl)propyl]oxane has a molecular weight of 336.60 g/mol, XLogP of 6.81, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-di(propan-2-yl)-2-[2-(2-propan-2-ylcyclohexyl)propyl]oxane is sourced from PubChem (CID 134460261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).