1,2-bis(2-methylpropyl)benzene;hydrate

C14H24O — CID 172819121

IUPAC1,2-bis(2-methylpropyl)benzene;hydrate
SMILESCC(C)Cc1ccccc1CC(C)C.O
InChIInChI=1S/C14H22.H2O/c1-11(2)9-13-7-5-6-8-14(13)10-12(3)4;/h5-8,11-12H,9-10H2,1-4H3;1H2
InChIKeyWHXJNIJIANETKU-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.26
Rot. Bonds4

About 1,2-bis(2-methylpropyl)benzene;hydrate

1,2-bis(2-methylpropyl)benzene;hydrate (PubChem CID 172819121) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 1,2-bis(2-methylpropyl)benzene;hydrate.

Molecular Properties

Compound Name1,2-bis(2-methylpropyl)benzene;hydrate
PubChem CID172819121
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name1,2-bis(2-methylpropyl)benzene;hydrate
SMILESCC(C)Cc1ccccc1CC(C)C.O
InChIInChI=1S/C14H22.H2O/c1-11(2)9-13-7-5-6-8-14(13)10-12(3)4;/h5-8,11-12H,9-10H2,1-4H3;1H2
InChIKeyWHXJNIJIANETKU-UHFFFAOYSA-N
XLogP3.26
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

azane;[2-(2-methylpropyl)phenyl]methanamine
CID 174953175
methane;1-methyl-2-(2-methylpropyl)benzene
CID 142148493
cesium 2-[2-(2-methylpropyl)phenyl]ethanolate
CID 145237019
1-[(methyldisulfanyl)methyl]-2-(2-methylpropyl)benzene
CID 129072158
N-[[2-(2-methylpropyl)phenyl]methyl]ethanamine
CID 63887722
bis[2-(2-methylpropyl)phenyl]phosphane
CID 69478192
2-(2-methylpropyl)phenol;propane
CID 158609255
1-(2-methylpropyl)-2-(phenoxymethyl)benzene
CID 173253706
ethane;1-(2-methylpropyl)-2-methylsulfanylbenzene
CID 177025711
N-methyl-1-[2-(2-methylpropyl)phenyl]ethanamine
CID 58593474
bis[[2-(2-methylpropyl)phenyl]methyl] benzene-1,2-dicarboxylate
CID 66626911
ethyl 2-[2-(2-methylpropyl)phenyl]acetate
CID 105476130

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2-methylpropyl)benzene;hydrate?
The IUPAC name of 1,2-bis(2-methylpropyl)benzene;hydrate (CID 172819121) is 1,2-bis(2-methylpropyl)benzene;hydrate.
What is the SMILES notation for 1,2-bis(2-methylpropyl)benzene;hydrate?
The canonical SMILES for 1,2-bis(2-methylpropyl)benzene;hydrate is CC(C)Cc1ccccc1CC(C)C.O.
What is the InChIKey of 1,2-bis(2-methylpropyl)benzene;hydrate?
The InChIKey is WHXJNIJIANETKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22.H2O/c1-11(2)9-13-7-5-6-8-14(13)10-12(3)4;/h5-8,11-12H,9-10H2,1-4H3;1H2.
What are the key properties of 1,2-bis(2-methylpropyl)benzene;hydrate?
1,2-bis(2-methylpropyl)benzene;hydrate has a molecular weight of 208.34 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-methylpropyl)benzene;hydrate is sourced from PubChem (CID 172819121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).