butane;ethane;3-ethylpentane;octakis(1-methoxy-2-methylbenzene);3-methylpentane;pentane

C102H180O8 — CID 159679469

IUPACbutane;ethane;3-ethylpentane;octakis(1-methoxy-2-methylbenzene);3-methylpentane;pentane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CCC(C)CC.CCC(CC)CC.CCCC.CCCCC.COc1ccccc1C.COc1ccccc1C.COc1ccccc1C.COc1ccccc1C.COc1ccccc1C.COc1ccccc1C.COc1ccccc1C.COc1ccccc1C
InChIInChI=1S/8C8H10O.C7H16.C6H14.C5H12.C4H10.8C2H6/c8*1-7-5-3-4-6-8(7)9-2;1-4-7(5-2)6-3;1-4-6(3)5-2;1-3-5-4-2;1-3-4-2;8*1-2/h8*3-6H,1-2H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3;3-5H2,1-2H3;3-4H2,1-2H3;8*1-2H3
InChIKeyMVALLAHQOHFGHN-UHFFFAOYSA-N
MW1534.55 g/mol
LogP33.52
Rot. Bonds16

About butane;ethane;3-ethylpentane;octakis(1-methoxy-2-methylbenzene);3-methylpentane;pentane

butane;ethane;3-ethylpentane;octakis(1-methoxy-2-methylbenzene);3-methylpentane;pentane (PubChem CID 159679469) has the molecular formula C102H180O8 and a molecular weight of 1534.55 g/mol. Its IUPAC name is butane;ethane;3-ethylpentane;octakis(1-methoxy-2-methylbenzene);3-methylpentane;pentane.

Molecular Properties

Compound Namebutane;ethane;3-ethylpentane;octakis(1-methoxy-2-methylbenzene);3-methylpentane;pentane
PubChem CID159679469
Molecular FormulaC102H180O8
Molecular Weight1534.55 g/mol
Exact Mass1533.37
IUPAC Namebutane;ethane;3-ethylpentane;octakis(1-methoxy-2-methylbenzene);3-methylpentane;pentane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CCC(C)CC.CCC(CC)CC.CCCC.CCCCC.COc1ccccc1C.COc1ccccc1C.COc1ccccc1C.COc1ccccc1C.COc1ccccc1C.COc1ccccc1C.COc1ccccc1C.COc1ccccc1C
InChIInChI=1S/8C8H10O.C7H16.C6H14.C5H12.C4H10.8C2H6/c8*1-7-5-3-4-6-8(7)9-2;1-4-7(5-2)6-3;1-4-6(3)5-2;1-3-5-4-2;1-3-4-2;8*1-2/h8*3-6H,1-2H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3;3-5H2,1-2H3;3-4H2,1-2H3;8*1-2H3
InChIKeyMVALLAHQOHFGHN-UHFFFAOYSA-N
XLogP33.52
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001534.55
LogP ≤ 533.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

tris(1-methoxy-2-methylbenzene);propane
CID 158759517
ethane;1-methyl-2-pentoxybenzene
CID 143283195
1-(2-ethylhexyl)-2-methoxybenzene
CID 160716483
2-butyl-1,3-dimethoxybenzene
CID 524840
methanol;1-methoxy-2-methylbenzene;hydrate;hydrochloride
CID 155598920
CID 68585082
CID 68585082
1-methyl-2-pentadecoxybenzene
CID 154641785
1-methoxy-2-[(3R)-3-methylpentyl]benzene
CID 142086575
methoxymethane;naphthalene;pentane
CID 91431163
ethyl (2S)-2-(2-methoxyphenyl)propanoate
CID 129388209
4-[bromo-(4-butylphenyl)methyl]-2-methoxy-1-methylbenzene
CID 63439924
tetrakis(hexane);tris(1,2-xylene)
CID 173431292

Frequently Asked Questions

What is the IUPAC name of butane;ethane;3-ethylpentane;octakis(1-methoxy-2-methylbenzene);3-methylpentane;pentane?
The IUPAC name of butane;ethane;3-ethylpentane;octakis(1-methoxy-2-methylbenzene);3-methylpentane;pentane (CID 159679469) is butane;ethane;3-ethylpentane;octakis(1-methoxy-2-methylbenzene);3-methylpentane;pentane.
What is the SMILES notation for butane;ethane;3-ethylpentane;octakis(1-methoxy-2-methylbenzene);3-methylpentane;pentane?
The canonical SMILES for butane;ethane;3-ethylpentane;octakis(1-methoxy-2-methylbenzene);3-methylpentane;pentane is CC.CC.CC.CC.CC.CC.CC.CC.CCC(C)CC.CCC(CC)CC.CCCC.CCCCC.COc1ccccc1C.COc1ccccc1C.COc1ccccc1C.COc1ccccc1C.COc1ccccc1C.COc1ccccc1C.COc1ccccc1C.COc1ccccc1C.
What is the InChIKey of butane;ethane;3-ethylpentane;octakis(1-methoxy-2-methylbenzene);3-methylpentane;pentane?
The InChIKey is MVALLAHQOHFGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/8C8H10O.C7H16.C6H14.C5H12.C4H10.8C2H6/c8*1-7-5-3-4-6-8(7)9-2;1-4-7(5-2)6-3;1-4-6(3)5-2;1-3-5-4-2;1-3-4-2;8*1-2/h8*3-6H,1-2H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3;3-5H2,1-2H3;3-4H2,1-2H3;8*1-2H3.
What are the key properties of butane;ethane;3-ethylpentane;octakis(1-methoxy-2-methylbenzene);3-methylpentane;pentane?
butane;ethane;3-ethylpentane;octakis(1-methoxy-2-methylbenzene);3-methylpentane;pentane has a molecular weight of 1534.55 g/mol, XLogP of 33.52, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;3-ethylpentane;octakis(1-methoxy-2-methylbenzene);3-methylpentane;pentane is sourced from PubChem (CID 159679469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).