adamantane;oct-1-ene

C18H32 — CID 174845491

IUPACadamantane;oct-1-ene
SMILESC1C2CC3CC1CC(C2)C3.C=CCCCCCC
InChIInChI=1S/C10H16.C8H16/c1-7-2-9-4-8(1)5-10(3-7)6-9;1-3-5-7-8-6-4-2/h7-10H,1-6H2;3H,1,4-8H2,2H3
InChIKeyNSMBHMOJJCBHLB-UHFFFAOYSA-N
MW248.45 g/mol
LogP5.98
Rot. Bonds5

About adamantane;oct-1-ene

adamantane;oct-1-ene (PubChem CID 174845491) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is adamantane;oct-1-ene.

Molecular Properties

Compound Nameadamantane;oct-1-ene
PubChem CID174845491
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Nameadamantane;oct-1-ene
SMILESC1C2CC3CC1CC(C2)C3.C=CCCCCCC
InChIInChI=1S/C10H16.C8H16/c1-7-2-9-4-8(1)5-10(3-7)6-9;1-3-5-7-8-6-4-2/h7-10H,1-6H2;3H,1,4-8H2,2H3
InChIKeyNSMBHMOJJCBHLB-UHFFFAOYSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of adamantane;oct-1-ene?
The IUPAC name of adamantane;oct-1-ene (CID 174845491) is adamantane;oct-1-ene.
What is the SMILES notation for adamantane;oct-1-ene?
The canonical SMILES for adamantane;oct-1-ene is C1C2CC3CC1CC(C2)C3.C=CCCCCCC.
What is the InChIKey of adamantane;oct-1-ene?
The InChIKey is NSMBHMOJJCBHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.C8H16/c1-7-2-9-4-8(1)5-10(3-7)6-9;1-3-5-7-8-6-4-2/h7-10H,1-6H2;3H,1,4-8H2,2H3.
What are the key properties of adamantane;oct-1-ene?
adamantane;oct-1-ene has a molecular weight of 248.45 g/mol, XLogP of 5.98, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane;oct-1-ene is sourced from PubChem (CID 174845491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).