hexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadeca-6,13-diene

C16H18 — CID 100957910

IUPAChexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadeca-6,13-diene
SMILESC1=CC2CC1C1C2C2C3C4C=CC(C4)C3C12
InChIInChI=1S/C16H18/c1-2-8-5-7(1)11-12(8)16-14-10-4-3-9(6-10)13(14)15(11)16/h1-4,7-16H,5-6H2
InChIKeyKLUSWBJJDYWYGM-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.12
Rot. Bonds

About hexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadeca-6,13-diene

hexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadeca-6,13-diene (PubChem CID 100957910) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is hexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadeca-6,13-diene.

Molecular Properties

Compound Namehexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadeca-6,13-diene
PubChem CID100957910
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Namehexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadeca-6,13-diene
SMILESC1=CC2CC1C1C2C2C3C4C=CC(C4)C3C12
InChIInChI=1S/C16H18/c1-2-8-5-7(1)11-12(8)16-14-10-4-3-9(6-10)13(14)15(11)16/h1-4,7-16H,5-6H2
InChIKeyKLUSWBJJDYWYGM-UHFFFAOYSA-N
XLogP3.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cycloheptane_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadeca-6,13-diene?
The IUPAC name of hexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadeca-6,13-diene (CID 100957910) is hexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadeca-6,13-diene.
What is the SMILES notation for hexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadeca-6,13-diene?
The canonical SMILES for hexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadeca-6,13-diene is C1=CC2CC1C1C2C2C3C4C=CC(C4)C3C12.
What is the InChIKey of hexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadeca-6,13-diene?
The InChIKey is KLUSWBJJDYWYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18/c1-2-8-5-7(1)11-12(8)16-14-10-4-3-9(6-10)13(14)15(11)16/h1-4,7-16H,5-6H2.
What are the key properties of hexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadeca-6,13-diene?
hexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadeca-6,13-diene has a molecular weight of 210.32 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadeca-6,13-diene is sourced from PubChem (CID 100957910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).