2,6-dihexylspiro[3.3]heptane

C19H36 — CID 58679549

IUPAC2,6-dihexylspiro[3.3]heptane
SMILESCCCCCCC1CC2(C1)CC(CCCCCC)C2
InChIInChI=1S/C19H36/c1-3-5-7-9-11-17-13-19(14-17)15-18(16-19)12-10-8-6-4-2/h17-18H,3-16H2,1-2H3
InChIKeyQCLMPXSCEUHDCG-UHFFFAOYSA-N
MW264.50 g/mol
LogP6.73
Rot. Bonds10

About 2,6-dihexylspiro[3.3]heptane

2,6-dihexylspiro[3.3]heptane (PubChem CID 58679549) has the molecular formula C19H36 and a molecular weight of 264.50 g/mol. Its IUPAC name is 2,6-dihexylspiro[3.3]heptane.

Molecular Properties

Compound Name2,6-dihexylspiro[3.3]heptane
PubChem CID58679549
Molecular FormulaC19H36
Molecular Weight264.50 g/mol
Exact Mass264.28
IUPAC Name2,6-dihexylspiro[3.3]heptane
SMILESCCCCCCC1CC2(C1)CC(CCCCCC)C2
InChIInChI=1S/C19H36/c1-3-5-7-9-11-17-13-19(14-17)15-18(16-19)12-10-8-6-4-2/h17-18H,3-16H2,1-2H3
InChIKeyQCLMPXSCEUHDCG-UHFFFAOYSA-N
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.50
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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1,4-dihexylcyclohexane
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octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
CID 11459117
CID 11459117
1,4-dimethylcycloheptane;ethane;2-octylspiro[3.5]nonane;propane
CID 154672549
azane;hexylcyclopropane
CID 135322230
3,11-diheptyldispiro[5.1.58.16]tetradecane
CID 18633606
hexane;pentylcyclopropane
CID 159592467
5,9,13,16-tetraoctyl-11-undecyl-3-oxatricyclo[5.4.3.31,7]heptadecan-2-one
CID 90973395
4-decyl-2,2,6-trimethyl-6-propylpiperidine
CID 126541478

Frequently Asked Questions

What is the IUPAC name of 2,6-dihexylspiro[3.3]heptane?
The IUPAC name of 2,6-dihexylspiro[3.3]heptane (CID 58679549) is 2,6-dihexylspiro[3.3]heptane.
What is the SMILES notation for 2,6-dihexylspiro[3.3]heptane?
The canonical SMILES for 2,6-dihexylspiro[3.3]heptane is CCCCCCC1CC2(C1)CC(CCCCCC)C2.
What is the InChIKey of 2,6-dihexylspiro[3.3]heptane?
The InChIKey is QCLMPXSCEUHDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36/c1-3-5-7-9-11-17-13-19(14-17)15-18(16-19)12-10-8-6-4-2/h17-18H,3-16H2,1-2H3.
What are the key properties of 2,6-dihexylspiro[3.3]heptane?
2,6-dihexylspiro[3.3]heptane has a molecular weight of 264.50 g/mol, XLogP of 6.73, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihexylspiro[3.3]heptane is sourced from PubChem (CID 58679549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).