3-cyclohexadecylpropylcyclohexadecane

C35H68 — CID 57270632

IUPAC3-cyclohexadecylpropylcyclohexadecane
SMILESC1CCCCCCCC(CCCC2CCCCCCCCCCCCCCC2)CCCCCCC1
InChIInChI=1S/C35H68/c1-3-7-11-15-19-23-28-34(29-24-20-16-12-8-4-1)32-27-33-35-30-25-21-17-13-9-5-2-6-10-14-18-22-26-31-35/h34-35H,1-33H2
InChIKeyHBRGPRJADXZUEY-UHFFFAOYSA-N
MW488.93 g/mol
LogP13.12
Rot. Bonds4

About 3-cyclohexadecylpropylcyclohexadecane

3-cyclohexadecylpropylcyclohexadecane (PubChem CID 57270632) has the molecular formula C35H68 and a molecular weight of 488.93 g/mol. Its IUPAC name is 3-cyclohexadecylpropylcyclohexadecane.

Molecular Properties

Compound Name3-cyclohexadecylpropylcyclohexadecane
PubChem CID57270632
Molecular FormulaC35H68
Molecular Weight488.93 g/mol
Exact Mass488.53
IUPAC Name3-cyclohexadecylpropylcyclohexadecane
SMILESC1CCCCCCCC(CCCC2CCCCCCCCCCCCCCC2)CCCCCCC1
InChIInChI=1S/C35H68/c1-3-7-11-15-19-23-28-34(29-24-20-16-12-8-4-1)32-27-33-35-30-25-21-17-13-9-5-2-6-10-14-18-22-26-31-35/h34-35H,1-33H2
InChIKeyHBRGPRJADXZUEY-UHFFFAOYSA-N
XLogP13.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.93
LogP ≤ 513.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-cyclobutylpropylcyclohexane
CID 54165208
4-cyclopentylbutylcyclohexane
CID 144547696
1-(cyclohexylmethyl)-4-(4-cyclopropylbutyl)cyclohexane
CID 168781110
4-(3-cyclopentylpropyl)cyclopentene
CID 148933494
4-cycloheptylbutan-1-ol
CID 54439965
5-cyclobutylpentylcyclobutane
CID 173228999
3-iodopropylcyclopentane
CID 15508337
1-(4-chlorobutyl)-4-(4-cyclohexylbutyl)cyclohexane
CID 57205272
3-cyclohexylpropan-1-amine;ethane
CID 143945055
11-cyclohexylundecan-1-ol
CID 18980516
4,4-dimethylpentylcycloundecane
CID 176613669
octylcyclotetradecane
CID 175261841

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexadecylpropylcyclohexadecane?
The IUPAC name of 3-cyclohexadecylpropylcyclohexadecane (CID 57270632) is 3-cyclohexadecylpropylcyclohexadecane.
What is the SMILES notation for 3-cyclohexadecylpropylcyclohexadecane?
The canonical SMILES for 3-cyclohexadecylpropylcyclohexadecane is C1CCCCCCCC(CCCC2CCCCCCCCCCCCCCC2)CCCCCCC1.
What is the InChIKey of 3-cyclohexadecylpropylcyclohexadecane?
The InChIKey is HBRGPRJADXZUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H68/c1-3-7-11-15-19-23-28-34(29-24-20-16-12-8-4-1)32-27-33-35-30-25-21-17-13-9-5-2-6-10-14-18-22-26-31-35/h34-35H,1-33H2.
What are the key properties of 3-cyclohexadecylpropylcyclohexadecane?
3-cyclohexadecylpropylcyclohexadecane has a molecular weight of 488.93 g/mol, XLogP of 13.12, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexadecylpropylcyclohexadecane is sourced from PubChem (CID 57270632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).