butane;5,7-dimethyl-6-propan-2-yl-2-propyl-3,4-dihydro-2H-chromene;ethane;propane

C34H72O — CID 176697834

IUPACbutane;5,7-dimethyl-6-propan-2-yl-2-propyl-3,4-dihydro-2H-chromene;ethane;propane
SMILESCC.CC.CC.CCC.CCCC.CCCC.CCCC1CCc2c(cc(C)c(C(C)C)c2C)O1
InChIInChI=1S/C17H26O.2C4H10.C3H8.3C2H6/c1-6-7-14-8-9-15-13(5)17(11(2)3)12(4)10-16(15)18-14;2*1-3-4-2;1-3-2;3*1-2/h10-11,14H,6-9H2,1-5H3;2*3-4H2,1-2H3;3H2,1-2H3;3*1-2H3
InChIKeyFKZXTMHRTGEDCD-UHFFFAOYSA-N
MW496.95 g/mol
LogP13.03
Rot. Bonds5

About butane;5,7-dimethyl-6-propan-2-yl-2-propyl-3,4-dihydro-2H-chromene;ethane;propane

butane;5,7-dimethyl-6-propan-2-yl-2-propyl-3,4-dihydro-2H-chromene;ethane;propane (PubChem CID 176697834) has the molecular formula C34H72O and a molecular weight of 496.95 g/mol. Its IUPAC name is butane;5,7-dimethyl-6-propan-2-yl-2-propyl-3,4-dihydro-2H-chromene;ethane;propane.

Molecular Properties

Compound Namebutane;5,7-dimethyl-6-propan-2-yl-2-propyl-3,4-dihydro-2H-chromene;ethane;propane
PubChem CID176697834
Molecular FormulaC34H72O
Molecular Weight496.95 g/mol
Exact Mass496.56
IUPAC Namebutane;5,7-dimethyl-6-propan-2-yl-2-propyl-3,4-dihydro-2H-chromene;ethane;propane
SMILESCC.CC.CC.CCC.CCCC.CCCC.CCCC1CCc2c(cc(C)c(C(C)C)c2C)O1
InChIInChI=1S/C17H26O.2C4H10.C3H8.3C2H6/c1-6-7-14-8-9-15-13(5)17(11(2)3)12(4)10-16(15)18-14;2*1-3-4-2;1-3-2;3*1-2/h10-11,14H,6-9H2,1-5H3;2*3-4H2,1-2H3;3H2,1-2H3;3*1-2H3
InChIKeyFKZXTMHRTGEDCD-UHFFFAOYSA-N
XLogP13.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.95
LogP ≤ 513.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of butane;5,7-dimethyl-6-propan-2-yl-2-propyl-3,4-dihydro-2H-chromene;ethane;propane?
The IUPAC name of butane;5,7-dimethyl-6-propan-2-yl-2-propyl-3,4-dihydro-2H-chromene;ethane;propane (CID 176697834) is butane;5,7-dimethyl-6-propan-2-yl-2-propyl-3,4-dihydro-2H-chromene;ethane;propane.
What is the SMILES notation for butane;5,7-dimethyl-6-propan-2-yl-2-propyl-3,4-dihydro-2H-chromene;ethane;propane?
The canonical SMILES for butane;5,7-dimethyl-6-propan-2-yl-2-propyl-3,4-dihydro-2H-chromene;ethane;propane is CC.CC.CC.CCC.CCCC.CCCC.CCCC1CCc2c(cc(C)c(C(C)C)c2C)O1.
What is the InChIKey of butane;5,7-dimethyl-6-propan-2-yl-2-propyl-3,4-dihydro-2H-chromene;ethane;propane?
The InChIKey is FKZXTMHRTGEDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O.2C4H10.C3H8.3C2H6/c1-6-7-14-8-9-15-13(5)17(11(2)3)12(4)10-16(15)18-14;2*1-3-4-2;1-3-2;3*1-2/h10-11,14H,6-9H2,1-5H3;2*3-4H2,1-2H3;3H2,1-2H3;3*1-2H3.
What are the key properties of butane;5,7-dimethyl-6-propan-2-yl-2-propyl-3,4-dihydro-2H-chromene;ethane;propane?
butane;5,7-dimethyl-6-propan-2-yl-2-propyl-3,4-dihydro-2H-chromene;ethane;propane has a molecular weight of 496.95 g/mol, XLogP of 13.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;5,7-dimethyl-6-propan-2-yl-2-propyl-3,4-dihydro-2H-chromene;ethane;propane is sourced from PubChem (CID 176697834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).