adamantane;cycloheptane

C17H30 — CID 173136693

IUPACadamantane;cycloheptane
SMILESC1C2CC3CC1CC(C2)C3.C1CCCCCC1
InChIInChI=1S/C10H16.C7H14/c1-7-2-9-4-8(1)5-10(3-7)6-9;1-2-4-6-7-5-3-1/h7-10H,1-6H2;1-7H2
InChIKeyNLPJVEJLGSROHY-UHFFFAOYSA-N
MW234.43 g/mol
LogP5.56
Rot. Bonds

About adamantane;cycloheptane

adamantane;cycloheptane (PubChem CID 173136693) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is adamantane;cycloheptane.

Molecular Properties

Compound Nameadamantane;cycloheptane
PubChem CID173136693
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Nameadamantane;cycloheptane
SMILESC1C2CC3CC1CC(C2)C3.C1CCCCCC1
InChIInChI=1S/C10H16.C7H14/c1-7-2-9-4-8(1)5-10(3-7)6-9;1-2-4-6-7-5-3-1/h7-10H,1-6H2;1-7H2
InChIKeyNLPJVEJLGSROHY-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of adamantane;cycloheptane?
The IUPAC name of adamantane;cycloheptane (CID 173136693) is adamantane;cycloheptane.
What is the SMILES notation for adamantane;cycloheptane?
The canonical SMILES for adamantane;cycloheptane is C1C2CC3CC1CC(C2)C3.C1CCCCCC1.
What is the InChIKey of adamantane;cycloheptane?
The InChIKey is NLPJVEJLGSROHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.C7H14/c1-7-2-9-4-8(1)5-10(3-7)6-9;1-2-4-6-7-5-3-1/h7-10H,1-6H2;1-7H2.
What are the key properties of adamantane;cycloheptane?
adamantane;cycloheptane has a molecular weight of 234.43 g/mol, XLogP of 5.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane;cycloheptane is sourced from PubChem (CID 173136693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).