decane;ethene;hexane;2-methylheptane;2-methylprop-1-ene;nonane

C39H86 — CID 172567112

IUPACdecane;ethene;hexane;2-methylheptane;2-methylprop-1-ene;nonane
SMILESC=C.C=C(C)C.CCCCCC.CCCCCC(C)C.CCCCCCCCC.CCCCCCCCCC
InChIInChI=1S/C10H22.C9H20.C8H18.C6H14.C4H8.C2H4/c1-3-5-7-9-10-8-6-4-2;1-3-5-7-9-8-6-4-2;1-4-5-6-7-8(2)3;1-3-5-6-4-2;1-4(2)3;1-2/h3-10H2,1-2H3;3-9H2,1-2H3;8H,4-7H2,1-3H3;3-6H2,1-2H3;1H2,2-3H3;1-2H2
InChIKeyKNXWLQVZZGPTPC-UHFFFAOYSA-N
MW555.12 g/mol
LogP16.10
Rot. Bonds20

About decane;ethene;hexane;2-methylheptane;2-methylprop-1-ene;nonane

decane;ethene;hexane;2-methylheptane;2-methylprop-1-ene;nonane (PubChem CID 172567112) has the molecular formula C39H86 and a molecular weight of 555.12 g/mol. Its IUPAC name is decane;ethene;hexane;2-methylheptane;2-methylprop-1-ene;nonane.

Molecular Properties

Compound Namedecane;ethene;hexane;2-methylheptane;2-methylprop-1-ene;nonane
PubChem CID172567112
Molecular FormulaC39H86
Molecular Weight555.12 g/mol
Exact Mass554.67
IUPAC Namedecane;ethene;hexane;2-methylheptane;2-methylprop-1-ene;nonane
SMILESC=C.C=C(C)C.CCCCCC.CCCCCC(C)C.CCCCCCCCC.CCCCCCCCCC
InChIInChI=1S/C10H22.C9H20.C8H18.C6H14.C4H8.C2H4/c1-3-5-7-9-10-8-6-4-2;1-3-5-7-9-8-6-4-2;1-4-5-6-7-8(2)3;1-3-5-6-4-2;1-4(2)3;1-2/h3-10H2,1-2H3;3-9H2,1-2H3;8H,4-7H2,1-3H3;3-6H2,1-2H3;1H2,2-3H3;1-2H2
InChIKeyKNXWLQVZZGPTPC-UHFFFAOYSA-N
XLogP16.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.12
LogP ≤ 516.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 90745672
2-methyldecane
CID 23415
2-methyltetratriacontane
CID 14275207
2-methyloctacosane
CID 519147
2-methylnonadecane;propan-2-one
CID 141405407
hydroxylamine;2-methylnonadecane
CID 87902402
azane;2-methyloctadecane
CID 175414560
2-methylnonane;heptahydrofluoride
CID 160801749
alumane;2-methyldecane
CID 174844655
methane;2-methylicosane
CID 157337652
2-methyltricosane;hydrate
CID 172783998
2-methylheptadecane;hydrobromide
CID 174866228

Frequently Asked Questions

What is the IUPAC name of decane;ethene;hexane;2-methylheptane;2-methylprop-1-ene;nonane?
The IUPAC name of decane;ethene;hexane;2-methylheptane;2-methylprop-1-ene;nonane (CID 172567112) is decane;ethene;hexane;2-methylheptane;2-methylprop-1-ene;nonane.
What is the SMILES notation for decane;ethene;hexane;2-methylheptane;2-methylprop-1-ene;nonane?
The canonical SMILES for decane;ethene;hexane;2-methylheptane;2-methylprop-1-ene;nonane is C=C.C=C(C)C.CCCCCC.CCCCCC(C)C.CCCCCCCCC.CCCCCCCCCC.
What is the InChIKey of decane;ethene;hexane;2-methylheptane;2-methylprop-1-ene;nonane?
The InChIKey is KNXWLQVZZGPTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22.C9H20.C8H18.C6H14.C4H8.C2H4/c1-3-5-7-9-10-8-6-4-2;1-3-5-7-9-8-6-4-2;1-4-5-6-7-8(2)3;1-3-5-6-4-2;1-4(2)3;1-2/h3-10H2,1-2H3;3-9H2,1-2H3;8H,4-7H2,1-3H3;3-6H2,1-2H3;1H2,2-3H3;1-2H2.
What are the key properties of decane;ethene;hexane;2-methylheptane;2-methylprop-1-ene;nonane?
decane;ethene;hexane;2-methylheptane;2-methylprop-1-ene;nonane has a molecular weight of 555.12 g/mol, XLogP of 16.10, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for decane;ethene;hexane;2-methylheptane;2-methylprop-1-ene;nonane is sourced from PubChem (CID 172567112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).