hexacyclo[9.2.1.02,10.03,8.04,6.05,9]tetradec-12-ene

C14H16 — CID 576086

IUPAChexacyclo[9.2.1.02,10.03,8.04,6.05,9]tetradec-12-ene
SMILESC1=CC2CC1C1C2C2C3CC4C(C31)C42
InChIInChI=1S/C14H16/c1-2-6-3-5(1)9-10(6)12-7-4-8-13(11(7)9)14(8)12/h1-2,5-14H,3-4H2
InChIKeyIGKDVUVITBCBRG-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.57
Rot. Bonds

About hexacyclo[9.2.1.02,10.03,8.04,6.05,9]tetradec-12-ene

hexacyclo[9.2.1.02,10.03,8.04,6.05,9]tetradec-12-ene (PubChem CID 576086) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is hexacyclo[9.2.1.02,10.03,8.04,6.05,9]tetradec-12-ene.

Molecular Properties

Compound Namehexacyclo[9.2.1.02,10.03,8.04,6.05,9]tetradec-12-ene
PubChem CID576086
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Namehexacyclo[9.2.1.02,10.03,8.04,6.05,9]tetradec-12-ene
SMILESC1=CC2CC1C1C2C2C3CC4C(C31)C42
InChIInChI=1S/C14H16/c1-2-6-3-5(1)9-10(6)12-7-4-8-13(11(7)9)14(8)12/h1-2,5-14H,3-4H2
InChIKeyIGKDVUVITBCBRG-UHFFFAOYSA-N
XLogP2.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hexacyclo[9.2.1.02,10.03,8.04,6.05,9]tetradec-12-ene?
The IUPAC name of hexacyclo[9.2.1.02,10.03,8.04,6.05,9]tetradec-12-ene (CID 576086) is hexacyclo[9.2.1.02,10.03,8.04,6.05,9]tetradec-12-ene.
What is the SMILES notation for hexacyclo[9.2.1.02,10.03,8.04,6.05,9]tetradec-12-ene?
The canonical SMILES for hexacyclo[9.2.1.02,10.03,8.04,6.05,9]tetradec-12-ene is C1=CC2CC1C1C2C2C3CC4C(C31)C42.
What is the InChIKey of hexacyclo[9.2.1.02,10.03,8.04,6.05,9]tetradec-12-ene?
The InChIKey is IGKDVUVITBCBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16/c1-2-6-3-5(1)9-10(6)12-7-4-8-13(11(7)9)14(8)12/h1-2,5-14H,3-4H2.
What are the key properties of hexacyclo[9.2.1.02,10.03,8.04,6.05,9]tetradec-12-ene?
hexacyclo[9.2.1.02,10.03,8.04,6.05,9]tetradec-12-ene has a molecular weight of 184.28 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexacyclo[9.2.1.02,10.03,8.04,6.05,9]tetradec-12-ene is sourced from PubChem (CID 576086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).