CID 59448677

C9H16 — CID 59448677

IUPAC—
SMILES[CH]CC1CCC(C)CC1
InChIInChI=1S/C9H16/c1-3-9-6-4-8(2)5-7-9/h1,8-9H,3-7H2,2H3
InChIKeyGJTXELIZBKAJAO-UHFFFAOYSA-N
MW124.23 g/mol
LogP2.91
Rot. Bonds1

About CID 59448677

CID 59448677 (PubChem CID 59448677) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol.

Molecular Properties

Compound NameCID 59448677
PubChem CID59448677
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name—
SMILES[CH]CC1CCC(C)CC1
InChIInChI=1S/C9H16/c1-3-9-6-4-8(2)5-7-9/h1,8-9H,3-7H2,2H3
InChIKeyGJTXELIZBKAJAO-UHFFFAOYSA-N
XLogP2.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane
CID 161317011
methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane
CID 158911211
ethane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane
CID 143714212
1-(fluoromethyl)-4-methylcyclohexane
CID 20579841
N-(cyclopropylmethyl)-1-(4-methylcyclohexyl)methanamine
CID 63001385
ethane;(4-methylcyclohexyl)methanol
CID 142233866
bis(1,4-dimethylcyclohexane);methane
CID 161326462
bis(1,4-dimethylcyclohexane);methane;propane
CID 159253657
1-ethyl-4-methylcyclohexane;pentane
CID 159787850
1-ethyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850420
1,4-dimethylcyclohexane;ethane;sulfane
CID 142040311
tris(1,4-dimethylcyclohexane);methane;yttrium
CID 165073168

Frequently Asked Questions

What is the IUPAC name of CID 59448677?
The IUPAC name of CID 59448677 (CID 59448677) is not available.
What is the SMILES notation for CID 59448677?
The canonical SMILES for CID 59448677 is [CH]CC1CCC(C)CC1.
What is the InChIKey of CID 59448677?
The InChIKey is GJTXELIZBKAJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-3-9-6-4-8(2)5-7-9/h1,8-9H,3-7H2,2H3.
What are the key properties of CID 59448677?
CID 59448677 has a molecular weight of 124.23 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59448677 is sourced from PubChem (CID 59448677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).