3,4-dihydro-2H-chromene;bis(2,2-dimethylpropane);ethane;1,2,3,4-tetrahydronaphthalene

C37H70O — CID 158908593

IUPAC3,4-dihydro-2H-chromene;bis(2,2-dimethylpropane);ethane;1,2,3,4-tetrahydronaphthalene
SMILESCC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCO2
InChIInChI=1S/C10H12.C9H10O.2C5H12.4C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;2*1-5(2,3)4;4*1-2/h1-2,5-6H,3-4,7-8H2;1-2,4,6H,3,5,7H2;2*1-4H3;4*1-2H3
InChIKeyJGIZBDLIKCDXPM-UHFFFAOYSA-N
MW530.97 g/mol
LogP12.79
Rot. Bonds

About 3,4-dihydro-2H-chromene;bis(2,2-dimethylpropane);ethane;1,2,3,4-tetrahydronaphthalene

3,4-dihydro-2H-chromene;bis(2,2-dimethylpropane);ethane;1,2,3,4-tetrahydronaphthalene (PubChem CID 158908593) has the molecular formula C37H70O and a molecular weight of 530.97 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromene;bis(2,2-dimethylpropane);ethane;1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name3,4-dihydro-2H-chromene;bis(2,2-dimethylpropane);ethane;1,2,3,4-tetrahydronaphthalene
PubChem CID158908593
Molecular FormulaC37H70O
Molecular Weight530.97 g/mol
Exact Mass530.54
IUPAC Name3,4-dihydro-2H-chromene;bis(2,2-dimethylpropane);ethane;1,2,3,4-tetrahydronaphthalene
SMILESCC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCO2
InChIInChI=1S/C10H12.C9H10O.2C5H12.4C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;2*1-5(2,3)4;4*1-2/h1-2,5-6H,3-4,7-8H2;1-2,4,6H,3,5,7H2;2*1-4H3;4*1-2H3
InChIKeyJGIZBDLIKCDXPM-UHFFFAOYSA-N
XLogP12.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.97
LogP ≤ 512.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromene;bis(2,2-dimethylpropane);ethane;1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 3,4-dihydro-2H-chromene;bis(2,2-dimethylpropane);ethane;1,2,3,4-tetrahydronaphthalene (CID 158908593) is 3,4-dihydro-2H-chromene;bis(2,2-dimethylpropane);ethane;1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 3,4-dihydro-2H-chromene;bis(2,2-dimethylpropane);ethane;1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 3,4-dihydro-2H-chromene;bis(2,2-dimethylpropane);ethane;1,2,3,4-tetrahydronaphthalene is CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCO2.
What is the InChIKey of 3,4-dihydro-2H-chromene;bis(2,2-dimethylpropane);ethane;1,2,3,4-tetrahydronaphthalene?
The InChIKey is JGIZBDLIKCDXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.C9H10O.2C5H12.4C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;2*1-5(2,3)4;4*1-2/h1-2,5-6H,3-4,7-8H2;1-2,4,6H,3,5,7H2;2*1-4H3;4*1-2H3.
What are the key properties of 3,4-dihydro-2H-chromene;bis(2,2-dimethylpropane);ethane;1,2,3,4-tetrahydronaphthalene?
3,4-dihydro-2H-chromene;bis(2,2-dimethylpropane);ethane;1,2,3,4-tetrahydronaphthalene has a molecular weight of 530.97 g/mol, XLogP of 12.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromene;bis(2,2-dimethylpropane);ethane;1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 158908593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).