ethane;4-ethyl-1H-indene;2-methylnaphthalene;propane;dihydrate

C27H40O2 — CID 143603022

IUPACethane;4-ethyl-1H-indene;2-methylnaphthalene;propane;dihydrate
SMILESCC.CCC.CCc1cccc2c1C=CC2.Cc1ccc2ccccc2c1.O.O
InChIInChI=1S/C11H10.C11H12.C3H8.C2H6.2H2O/c1-9-6-7-10-4-2-3-5-11(10)8-9;1-2-9-5-3-6-10-7-4-8-11(9)10;1-3-2;1-2;;/h2-8H,1H3;3-6,8H,2,7H2,1H3;3H2,1-2H3;1-2H3;2*1H2
InChIKeyKVYMGEAAOALBHE-UHFFFAOYSA-N
MW396.62 g/mol
LogP6.76
Rot. Bonds1

About ethane;4-ethyl-1H-indene;2-methylnaphthalene;propane;dihydrate

ethane;4-ethyl-1H-indene;2-methylnaphthalene;propane;dihydrate (PubChem CID 143603022) has the molecular formula C27H40O2 and a molecular weight of 396.62 g/mol. Its IUPAC name is ethane;4-ethyl-1H-indene;2-methylnaphthalene;propane;dihydrate.

Molecular Properties

Compound Nameethane;4-ethyl-1H-indene;2-methylnaphthalene;propane;dihydrate
PubChem CID143603022
Molecular FormulaC27H40O2
Molecular Weight396.62 g/mol
Exact Mass396.30
IUPAC Nameethane;4-ethyl-1H-indene;2-methylnaphthalene;propane;dihydrate
SMILESCC.CCC.CCc1cccc2c1C=CC2.Cc1ccc2ccccc2c1.O.O
InChIInChI=1S/C11H10.C11H12.C3H8.C2H6.2H2O/c1-9-6-7-10-4-2-3-5-11(10)8-9;1-2-9-5-3-6-10-7-4-8-11(9)10;1-3-2;1-2;;/h2-8H,1H3;3-6,8H,2,7H2,1H3;3H2,1-2H3;1-2H3;2*1H2
InChIKeyKVYMGEAAOALBHE-UHFFFAOYSA-N
XLogP6.76
TPSA63.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.62
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-methylnaphthalene;dihydrate
CID 174912803
4-propyl-1H-indene
CID 18314956
ethane;1-ethyl-7-methylnaphthalene
CID 91014752
2,6-dimethylnaphthalene;2-methylnaphthalene
CID 158480305
ethane;1-ethyl-6-methylnaphthalene
CID 91003856
1-ethyl-7-methylnaphthalene
CID 12778771
butane;2-methylanthracene
CID 90696557
benzene;2-methylnaphthalene
CID 159438891
2-methylnaphthalene chloride
CID 21193556
2,6-dimethylnaphthalene;propane
CID 142191183
lithium;hydride;2-methylnaphthalene
CID 175090071
4-[(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)methyl]-1H-indene
CID 23590991

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-1H-indene;2-methylnaphthalene;propane;dihydrate?
The IUPAC name of ethane;4-ethyl-1H-indene;2-methylnaphthalene;propane;dihydrate (CID 143603022) is ethane;4-ethyl-1H-indene;2-methylnaphthalene;propane;dihydrate.
What is the SMILES notation for ethane;4-ethyl-1H-indene;2-methylnaphthalene;propane;dihydrate?
The canonical SMILES for ethane;4-ethyl-1H-indene;2-methylnaphthalene;propane;dihydrate is CC.CCC.CCc1cccc2c1C=CC2.Cc1ccc2ccccc2c1.O.O.
What is the InChIKey of ethane;4-ethyl-1H-indene;2-methylnaphthalene;propane;dihydrate?
The InChIKey is KVYMGEAAOALBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10.C11H12.C3H8.C2H6.2H2O/c1-9-6-7-10-4-2-3-5-11(10)8-9;1-2-9-5-3-6-10-7-4-8-11(9)10;1-3-2;1-2;;/h2-8H,1H3;3-6,8H,2,7H2,1H3;3H2,1-2H3;1-2H3;2*1H2.
What are the key properties of ethane;4-ethyl-1H-indene;2-methylnaphthalene;propane;dihydrate?
ethane;4-ethyl-1H-indene;2-methylnaphthalene;propane;dihydrate has a molecular weight of 396.62 g/mol, XLogP of 6.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-1H-indene;2-methylnaphthalene;propane;dihydrate is sourced from PubChem (CID 143603022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).