14,14-dichloro-3-methyl-11-propyldispiro[5.1.58.16]tetradecane

C18H30Cl2 — CID 18633778

IUPAC14,14-dichloro-3-methyl-11-propyldispiro[5.1.58.16]tetradecane
SMILESCCCC1CCC2(CC1)CC1(CCC(C)CC1)C2(Cl)Cl
InChIInChI=1S/C18H30Cl2/c1-3-4-15-7-11-17(12-8-15)13-16(18(17,19)20)9-5-14(2)6-10-16/h14-15H,3-13H2,1-2H3
InChIKeyCDLFPPHVMIKRCS-UHFFFAOYSA-N
MW317.34 g/mol
LogP6.74
Rot. Bonds2

About 14,14-dichloro-3-methyl-11-propyldispiro[5.1.58.16]tetradecane

14,14-dichloro-3-methyl-11-propyldispiro[5.1.58.16]tetradecane (PubChem CID 18633778) has the molecular formula C18H30Cl2 and a molecular weight of 317.34 g/mol. Its IUPAC name is 14,14-dichloro-3-methyl-11-propyldispiro[5.1.58.16]tetradecane.

Molecular Properties

Compound Name14,14-dichloro-3-methyl-11-propyldispiro[5.1.58.16]tetradecane
PubChem CID18633778
Molecular FormulaC18H30Cl2
Molecular Weight317.34 g/mol
Exact Mass316.17
IUPAC Name14,14-dichloro-3-methyl-11-propyldispiro[5.1.58.16]tetradecane
SMILESCCCC1CCC2(CC1)CC1(CCC(C)CC1)C2(Cl)Cl
InChIInChI=1S/C18H30Cl2/c1-3-4-15-7-11-17(12-8-15)13-16(18(17,19)20)9-5-14(2)6-10-16/h14-15H,3-13H2,1-2H3
InChIKeyCDLFPPHVMIKRCS-UHFFFAOYSA-N
XLogP6.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.34
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(aminomethyl)-4-propylcyclohexyl]-4-methylcyclohexan-1-ol
CID 79128311
2-methyl-7-propylspiro[3.5]nonane
CID 149299427
1,3,6-trimethyl-9-propylcycloundecane
CID 123524783
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
1-methyl-5-propylcyclononane
CID 54361658
1-methyl-4-propylcycloheptane
CID 90967653
1-(1-hydroxy-4-propylcyclohexyl)-4-propylcyclohexan-1-ol
CID 70888853
1-(4-methylcyclohexyl)-4-propylcycloheptan-1-ol
CID 65090860
14,14-dichloro-3,11-diheptoxydispiro[5.1.58.16]tetradecane;14,14-dichloro-3,11-dioctoxydispiro[5.1.58.16]tetradecane
CID 88656869
7-propylspiro[3.5]nonane
CID 144910869
1-(3,5-dimethylcyclohexyl)-4-propylcyclohexan-1-ol
CID 64730670
(7R)-7-methyl-2-propylspiro[3.4]octane
CID 167622159

Frequently Asked Questions

What is the IUPAC name of 14,14-dichloro-3-methyl-11-propyldispiro[5.1.58.16]tetradecane?
The IUPAC name of 14,14-dichloro-3-methyl-11-propyldispiro[5.1.58.16]tetradecane (CID 18633778) is 14,14-dichloro-3-methyl-11-propyldispiro[5.1.58.16]tetradecane.
What is the SMILES notation for 14,14-dichloro-3-methyl-11-propyldispiro[5.1.58.16]tetradecane?
The canonical SMILES for 14,14-dichloro-3-methyl-11-propyldispiro[5.1.58.16]tetradecane is CCCC1CCC2(CC1)CC1(CCC(C)CC1)C2(Cl)Cl.
What is the InChIKey of 14,14-dichloro-3-methyl-11-propyldispiro[5.1.58.16]tetradecane?
The InChIKey is CDLFPPHVMIKRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30Cl2/c1-3-4-15-7-11-17(12-8-15)13-16(18(17,19)20)9-5-14(2)6-10-16/h14-15H,3-13H2,1-2H3.
What are the key properties of 14,14-dichloro-3-methyl-11-propyldispiro[5.1.58.16]tetradecane?
14,14-dichloro-3-methyl-11-propyldispiro[5.1.58.16]tetradecane has a molecular weight of 317.34 g/mol, XLogP of 6.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14-dichloro-3-methyl-11-propyldispiro[5.1.58.16]tetradecane is sourced from PubChem (CID 18633778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).