nonakis(cyclohexane);methane

C71H176 — CID 159769101

IUPACnonakis(cyclohexane);methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C1CCCCC1.C1CCCCC1.C1CCCCC1.C1CCCCC1.C1CCCCC1.C1CCCCC1.C1CCCCC1.C1CCCCC1.C1CCCCC1
InChIInChI=1S/9C6H12.17CH4/c9*1-2-4-6-5-3-1;;;;;;;;;;;;;;;;;/h9*1-6H2;17*1H4
InChIKeyNFWPXNNGRMAPIB-UHFFFAOYSA-N
MW1030.19 g/mol
LogP31.88
Rot. Bonds

About nonakis(cyclohexane);methane

nonakis(cyclohexane);methane (PubChem CID 159769101) has the molecular formula C71H176 and a molecular weight of 1030.19 g/mol. Its IUPAC name is nonakis(cyclohexane);methane.

Molecular Properties

Compound Namenonakis(cyclohexane);methane
PubChem CID159769101
Molecular FormulaC71H176
Molecular Weight1030.19 g/mol
Exact Mass1029.38
IUPAC Namenonakis(cyclohexane);methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C1CCCCC1.C1CCCCC1.C1CCCCC1.C1CCCCC1.C1CCCCC1.C1CCCCC1.C1CCCCC1.C1CCCCC1.C1CCCCC1
InChIInChI=1S/9C6H12.17CH4/c9*1-2-4-6-5-3-1;;;;;;;;;;;;;;;;;/h9*1-6H2;17*1H4
InChIKeyNFWPXNNGRMAPIB-UHFFFAOYSA-N
XLogP31.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001030.19
LogP ≤ 531.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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cyclobutane;methane
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CID 159842804
cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane
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cyclooctane
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cyclooctacosane
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cyclobutane;cyclopropane
CID 159057906
cyclopentane
CID 141332554
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CID 165090184
cyclobutane;ethene;methane
CID 159877544
cyclobutane;ethane;methane
CID 159400168

Frequently Asked Questions

What is the IUPAC name of nonakis(cyclohexane);methane?
The IUPAC name of nonakis(cyclohexane);methane (CID 159769101) is nonakis(cyclohexane);methane.
What is the SMILES notation for nonakis(cyclohexane);methane?
The canonical SMILES for nonakis(cyclohexane);methane is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C1CCCCC1.C1CCCCC1.C1CCCCC1.C1CCCCC1.C1CCCCC1.C1CCCCC1.C1CCCCC1.C1CCCCC1.C1CCCCC1.
What is the InChIKey of nonakis(cyclohexane);methane?
The InChIKey is NFWPXNNGRMAPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/9C6H12.17CH4/c9*1-2-4-6-5-3-1;;;;;;;;;;;;;;;;;/h9*1-6H2;17*1H4.
What are the key properties of nonakis(cyclohexane);methane?
nonakis(cyclohexane);methane has a molecular weight of 1030.19 g/mol, XLogP of 31.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nonakis(cyclohexane);methane is sourced from PubChem (CID 159769101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).