benzene;methanol;naphthalene;propane

C102H154O6 — CID 159585555

IUPACbenzene;methanol;naphthalene;propane
SMILESCCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CO.CO.CO.CO.CO.CO.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/3C10H8.7C6H6.8C3H8.6CH4O/c3*1-2-6-10-8-4-3-7-9(10)5-1;7*1-2-4-6-5-3-1;8*1-3-2;6*1-2/h3*1-8H;7*1-6H;8*3H2,1-2H3;6*2H,1H3
InChIKeyMJOJBRPPOCICSR-UHFFFAOYSA-N
MW1476.35 g/mol
LogP29.31
Rot. Bonds

About benzene;methanol;naphthalene;propane

benzene;methanol;naphthalene;propane (PubChem CID 159585555) has the molecular formula C102H154O6 and a molecular weight of 1476.35 g/mol. Its IUPAC name is benzene;methanol;naphthalene;propane.

Molecular Properties

Compound Namebenzene;methanol;naphthalene;propane
PubChem CID159585555
Molecular FormulaC102H154O6
Molecular Weight1476.35 g/mol
Exact Mass1475.17
IUPAC Namebenzene;methanol;naphthalene;propane
SMILESCCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CO.CO.CO.CO.CO.CO.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/3C10H8.7C6H6.8C3H8.6CH4O/c3*1-2-6-10-8-4-3-7-9(10)5-1;7*1-2-4-6-5-3-1;8*1-3-2;6*1-2/h3*1-8H;7*1-6H;8*3H2,1-2H3;6*2H,1H3
InChIKeyMJOJBRPPOCICSR-UHFFFAOYSA-N
XLogP29.31
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001476.35
LogP ≤ 529.31
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of benzene;methanol;naphthalene;propane?
The IUPAC name of benzene;methanol;naphthalene;propane (CID 159585555) is benzene;methanol;naphthalene;propane.
What is the SMILES notation for benzene;methanol;naphthalene;propane?
The canonical SMILES for benzene;methanol;naphthalene;propane is CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CO.CO.CO.CO.CO.CO.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;methanol;naphthalene;propane?
The InChIKey is MJOJBRPPOCICSR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H8.7C6H6.8C3H8.6CH4O/c3*1-2-6-10-8-4-3-7-9(10)5-1;7*1-2-4-6-5-3-1;8*1-3-2;6*1-2/h3*1-8H;7*1-6H;8*3H2,1-2H3;6*2H,1H3.
What are the key properties of benzene;methanol;naphthalene;propane?
benzene;methanol;naphthalene;propane has a molecular weight of 1476.35 g/mol, XLogP of 29.31, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;methanol;naphthalene;propane is sourced from PubChem (CID 159585555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).