1,5-dimethyl-3-[5-(3-methyl-2-propan-2-ylcyclohexyl)pentyl]-2-propan-2-ylcyclohexane

C26H50 — CID 91227488

IUPAC1,5-dimethyl-3-[5-(3-methyl-2-propan-2-ylcyclohexyl)pentyl]-2-propan-2-ylcyclohexane
SMILESCC1CC(C)C(C(C)C)C(CCCCCC2CCCC(C)C2C(C)C)C1
InChIInChI=1S/C26H50/c1-18(2)25-21(6)12-11-15-23(25)13-9-8-10-14-24-17-20(5)16-22(7)26(24)19(3)4/h18-26H,8-17H2,1-7H3
InChIKeyQQQZKRNCDVAKTR-UHFFFAOYSA-N
MW362.69 g/mol
LogP8.60
Rot. Bonds8

About 1,5-dimethyl-3-[5-(3-methyl-2-propan-2-ylcyclohexyl)pentyl]-2-propan-2-ylcyclohexane

1,5-dimethyl-3-[5-(3-methyl-2-propan-2-ylcyclohexyl)pentyl]-2-propan-2-ylcyclohexane (PubChem CID 91227488) has the molecular formula C26H50 and a molecular weight of 362.69 g/mol. Its IUPAC name is 1,5-dimethyl-3-[5-(3-methyl-2-propan-2-ylcyclohexyl)pentyl]-2-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1,5-dimethyl-3-[5-(3-methyl-2-propan-2-ylcyclohexyl)pentyl]-2-propan-2-ylcyclohexane
PubChem CID91227488
Molecular FormulaC26H50
Molecular Weight362.69 g/mol
Exact Mass362.39
IUPAC Name1,5-dimethyl-3-[5-(3-methyl-2-propan-2-ylcyclohexyl)pentyl]-2-propan-2-ylcyclohexane
SMILESCC1CC(C)C(C(C)C)C(CCCCCC2CCCC(C)C2C(C)C)C1
InChIInChI=1S/C26H50/c1-18(2)25-21(6)12-11-15-23(25)13-9-8-10-14-24-17-20(5)16-22(7)26(24)19(3)4/h18-26H,8-17H2,1-7H3
InChIKeyQQQZKRNCDVAKTR-UHFFFAOYSA-N
XLogP8.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.69
LogP ≤ 58.60
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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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-[5-(3-methyl-2-propan-2-ylcyclohexyl)pentyl]-2-propan-2-ylcyclohexane?
The IUPAC name of 1,5-dimethyl-3-[5-(3-methyl-2-propan-2-ylcyclohexyl)pentyl]-2-propan-2-ylcyclohexane (CID 91227488) is 1,5-dimethyl-3-[5-(3-methyl-2-propan-2-ylcyclohexyl)pentyl]-2-propan-2-ylcyclohexane.
What is the SMILES notation for 1,5-dimethyl-3-[5-(3-methyl-2-propan-2-ylcyclohexyl)pentyl]-2-propan-2-ylcyclohexane?
The canonical SMILES for 1,5-dimethyl-3-[5-(3-methyl-2-propan-2-ylcyclohexyl)pentyl]-2-propan-2-ylcyclohexane is CC1CC(C)C(C(C)C)C(CCCCCC2CCCC(C)C2C(C)C)C1.
What is the InChIKey of 1,5-dimethyl-3-[5-(3-methyl-2-propan-2-ylcyclohexyl)pentyl]-2-propan-2-ylcyclohexane?
The InChIKey is QQQZKRNCDVAKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50/c1-18(2)25-21(6)12-11-15-23(25)13-9-8-10-14-24-17-20(5)16-22(7)26(24)19(3)4/h18-26H,8-17H2,1-7H3.
What are the key properties of 1,5-dimethyl-3-[5-(3-methyl-2-propan-2-ylcyclohexyl)pentyl]-2-propan-2-ylcyclohexane?
1,5-dimethyl-3-[5-(3-methyl-2-propan-2-ylcyclohexyl)pentyl]-2-propan-2-ylcyclohexane has a molecular weight of 362.69 g/mol, XLogP of 8.60, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-[5-(3-methyl-2-propan-2-ylcyclohexyl)pentyl]-2-propan-2-ylcyclohexane is sourced from PubChem (CID 91227488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).