(1-cyclooctyl-1,1-dipropoxydecan-2-yl)cyclooctane

C32H62O2 — CID 152602584

IUPAC(1-cyclooctyl-1,1-dipropoxydecan-2-yl)cyclooctane
SMILESCCCCCCCCC(C1CCCCCCC1)C(OCCC)(OCCC)C1CCCCCCC1
InChIInChI=1S/C32H62O2/c1-4-7-8-9-16-21-26-31(29-22-17-12-10-13-18-23-29)32(33-27-5-2,34-28-6-3)30-24-19-14-11-15-20-25-30/h29-31H,4-28H2,1-3H3
InChIKeyYXVUJQFRLRBJEB-UHFFFAOYSA-N
MW478.85 g/mol
LogP10.62
Rot. Bonds16

About (1-cyclooctyl-1,1-dipropoxydecan-2-yl)cyclooctane

(1-cyclooctyl-1,1-dipropoxydecan-2-yl)cyclooctane (PubChem CID 152602584) has the molecular formula C32H62O2 and a molecular weight of 478.85 g/mol. Its IUPAC name is (1-cyclooctyl-1,1-dipropoxydecan-2-yl)cyclooctane.

Molecular Properties

Compound Name(1-cyclooctyl-1,1-dipropoxydecan-2-yl)cyclooctane
PubChem CID152602584
Molecular FormulaC32H62O2
Molecular Weight478.85 g/mol
Exact Mass478.47
IUPAC Name(1-cyclooctyl-1,1-dipropoxydecan-2-yl)cyclooctane
SMILESCCCCCCCCC(C1CCCCCCC1)C(OCCC)(OCCC)C1CCCCCCC1
InChIInChI=1S/C32H62O2/c1-4-7-8-9-16-21-26-31(29-22-17-12-10-13-18-23-29)32(33-27-5-2,34-28-6-3)30-24-19-14-11-15-20-25-30/h29-31H,4-28H2,1-3H3
InChIKeyYXVUJQFRLRBJEB-UHFFFAOYSA-N
XLogP10.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.85
LogP ≤ 510.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1,2-tricyclohexyldodecylphosphane
CID 67839264
1,1,1-tripropoxydecan-2-ylcyclopropane
CID 151363480
(1-cyclopropyl-1,1-dimethoxydecan-2-yl)cyclopropane
CID 151507432
(2-chloro-2-methylnonadecan-3-yl)cyclohexane
CID 70371697
(1,1-diethoxy-2-methyldecyl)cyclohexane
CID 151955749
(2-cyclohexyl-1,1-dimethoxydecyl)benzene
CID 150097969
1-cycloheptyldecylcycloheptane
CID 20559033
hexadecan-8-ylcyclohexane
CID 91510029
1-cyclohexylheptylcyclohexane
CID 16404
1,2,3,4,5-pentafluoro-6-[4-(1,1,1-tripropoxydecan-2-yl)cyclohexyl]benzene
CID 151748375
butyl 2-cyano-2,3-dicyclohexyloctanoate
CID 175410080
undecan-5-ylcyclohexane
CID 524419

Frequently Asked Questions

What is the IUPAC name of (1-cyclooctyl-1,1-dipropoxydecan-2-yl)cyclooctane?
The IUPAC name of (1-cyclooctyl-1,1-dipropoxydecan-2-yl)cyclooctane (CID 152602584) is (1-cyclooctyl-1,1-dipropoxydecan-2-yl)cyclooctane.
What is the SMILES notation for (1-cyclooctyl-1,1-dipropoxydecan-2-yl)cyclooctane?
The canonical SMILES for (1-cyclooctyl-1,1-dipropoxydecan-2-yl)cyclooctane is CCCCCCCCC(C1CCCCCCC1)C(OCCC)(OCCC)C1CCCCCCC1.
What is the InChIKey of (1-cyclooctyl-1,1-dipropoxydecan-2-yl)cyclooctane?
The InChIKey is YXVUJQFRLRBJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H62O2/c1-4-7-8-9-16-21-26-31(29-22-17-12-10-13-18-23-29)32(33-27-5-2,34-28-6-3)30-24-19-14-11-15-20-25-30/h29-31H,4-28H2,1-3H3.
What are the key properties of (1-cyclooctyl-1,1-dipropoxydecan-2-yl)cyclooctane?
(1-cyclooctyl-1,1-dipropoxydecan-2-yl)cyclooctane has a molecular weight of 478.85 g/mol, XLogP of 10.62, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclooctyl-1,1-dipropoxydecan-2-yl)cyclooctane is sourced from PubChem (CID 152602584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).