(2-methyl-1-propan-2-yloxyhexyl)benzene

C16H26O — CID 118530861

IUPAC(2-methyl-1-propan-2-yloxyhexyl)benzene
SMILESCCCCC(C)C(OC(C)C)c1ccccc1
InChIInChI=1S/C16H26O/c1-5-6-10-14(4)16(17-13(2)3)15-11-8-7-9-12-15/h7-9,11-14,16H,5-6,10H2,1-4H3
InChIKeyMNWCVHSOMHDCPY-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.98
Rot. Bonds7

About (2-methyl-1-propan-2-yloxyhexyl)benzene

(2-methyl-1-propan-2-yloxyhexyl)benzene (PubChem CID 118530861) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is (2-methyl-1-propan-2-yloxyhexyl)benzene.

Molecular Properties

Compound Name(2-methyl-1-propan-2-yloxyhexyl)benzene
PubChem CID118530861
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name(2-methyl-1-propan-2-yloxyhexyl)benzene
SMILESCCCCC(C)C(OC(C)C)c1ccccc1
InChIInChI=1S/C16H26O/c1-5-6-10-14(4)16(17-13(2)3)15-11-8-7-9-12-15/h7-9,11-14,16H,5-6,10H2,1-4H3
InChIKeyMNWCVHSOMHDCPY-UHFFFAOYSA-N
XLogP4.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 173025924
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1-isocyanopentylbenzene
CID 172755000
hexane;2-propan-2-yloxypropane;toluene
CID 174447414
N-(1-phenylethyl)hexan-2-amine
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[1-butoxy-2-(3-methylbutoxy)-2-phenylethyl]benzene
CID 139393088
10-phenyltetradecan-5-ylbenzene
CID 22891787
(1S)-1-phenylpentan-1-ol
CID 6992754
[2-[(2-phenyl-2-propan-2-yloxyethyl)disulfanyl]-1-propan-2-yloxyethyl]benzene
CID 14612801
1-(1-phenyloctadecoxy)octadecylbenzene
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(1-bromo-2-methylnonyl)benzene
CID 104846505

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1-propan-2-yloxyhexyl)benzene?
The IUPAC name of (2-methyl-1-propan-2-yloxyhexyl)benzene (CID 118530861) is (2-methyl-1-propan-2-yloxyhexyl)benzene.
What is the SMILES notation for (2-methyl-1-propan-2-yloxyhexyl)benzene?
The canonical SMILES for (2-methyl-1-propan-2-yloxyhexyl)benzene is CCCCC(C)C(OC(C)C)c1ccccc1.
What is the InChIKey of (2-methyl-1-propan-2-yloxyhexyl)benzene?
The InChIKey is MNWCVHSOMHDCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-5-6-10-14(4)16(17-13(2)3)15-11-8-7-9-12-15/h7-9,11-14,16H,5-6,10H2,1-4H3.
What are the key properties of (2-methyl-1-propan-2-yloxyhexyl)benzene?
(2-methyl-1-propan-2-yloxyhexyl)benzene has a molecular weight of 234.38 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1-propan-2-yloxyhexyl)benzene is sourced from PubChem (CID 118530861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).