1,3-bis(dicyclopropylmethyl)adamantane

C24H34+2 — CID 177387798

IUPAC1,3-bis(dicyclopropylmethyl)adamantane
SMILESC1C2CC3([C+](C4CC4)C4CC4)CC1CC([C+](C1CC1)C1CC1)(C2)C3
InChIInChI=1S/C24H34/c1-2-17(1)21(18-3-4-18)23-10-15-9-16(11-23)13-24(12-15,14-23)22(19-5-6-19)20-7-8-20/h15-20H,1-14H2/q+2
InChIKeyZKNSVSRHNQMFPD-UHFFFAOYSA-N
MW322.54 g/mol
LogP6.36
Rot. Bonds6

About 1,3-bis(dicyclopropylmethyl)adamantane

1,3-bis(dicyclopropylmethyl)adamantane (PubChem CID 177387798) has the molecular formula C24H34+2 and a molecular weight of 322.54 g/mol. Its IUPAC name is 1,3-bis(dicyclopropylmethyl)adamantane.

Molecular Properties

Compound Name1,3-bis(dicyclopropylmethyl)adamantane
PubChem CID177387798
Molecular FormulaC24H34+2
Molecular Weight322.54 g/mol
Exact Mass322.26
IUPAC Name1,3-bis(dicyclopropylmethyl)adamantane
SMILESC1C2CC3([C+](C4CC4)C4CC4)CC1CC([C+](C1CC1)C1CC1)(C2)C3
InChIInChI=1S/C24H34/c1-2-17(1)21(18-3-4-18)23-10-15-9-16(11-23)13-24(12-15,14-23)22(19-5-6-19)20-7-8-20/h15-20H,1-14H2/q+2
InChIKeyZKNSVSRHNQMFPD-UHFFFAOYSA-N
XLogP6.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.54
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Spiro[cyclopropane-1,2'-tricyclo[3.3.1.13,7]decane]
CID 91130175
1,3,5,7-Tetracyclopropyladamantane
CID 11300934
1,3,5,7-Tetra(propan-2-yl)adamantane
CID 11381171
1-(1-Methylcyclopropyl)tricyclo[3.3.1.1~3,7~]decane
CID 19371018
Dispiro(cyclopropane-1,2'-bicyclo(2.2.2)octane-3',1''-cyclopropane)
CID 142497
1-(Cyclohexylmethyl)-3-[3-[1-(4-fluorocyclohexyl)cyclopropyl]propyl]cyclohexane
CID 141767569
1-(2,3,4-Tritert-butyl-1-tricyclo[1.1.0.02,4]butanyl)adamantane
CID 101682111
Bis-(dicyclohexyl)-ethane
CID 129658937
2-(1-Adamantyl)-2,6-dimethylheptane
CID 129771470
1-[2-(1-Tricyclo[4.1.0.02,7]heptanyl)ethynyl]tricyclo[4.1.0.02,7]heptane
CID 14662040
1-[Bis(1-adamantyl)methyl]adamantane
CID 10093509
1,3,5-Tri(propan-2-yl)adamantane
CID 11436965

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(dicyclopropylmethyl)adamantane?
The IUPAC name of 1,3-bis(dicyclopropylmethyl)adamantane (CID 177387798) is 1,3-bis(dicyclopropylmethyl)adamantane.
What is the SMILES notation for 1,3-bis(dicyclopropylmethyl)adamantane?
The canonical SMILES for 1,3-bis(dicyclopropylmethyl)adamantane is C1C2CC3([C+](C4CC4)C4CC4)CC1CC([C+](C1CC1)C1CC1)(C2)C3.
What is the InChIKey of 1,3-bis(dicyclopropylmethyl)adamantane?
The InChIKey is ZKNSVSRHNQMFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34/c1-2-17(1)21(18-3-4-18)23-10-15-9-16(11-23)13-24(12-15,14-23)22(19-5-6-19)20-7-8-20/h15-20H,1-14H2/q+2.
What are the key properties of 1,3-bis(dicyclopropylmethyl)adamantane?
1,3-bis(dicyclopropylmethyl)adamantane has a molecular weight of 322.54 g/mol, XLogP of 6.36, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(dicyclopropylmethyl)adamantane is sourced from PubChem (CID 177387798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).