10-but-3-en-2-yltricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-ol

C16H20O — CID 539121

IUPAC10-but-3-en-2-yltricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-ol
SMILESC=CC(C)C1(O)CC2CC(C1)c1ccccc12
InChIInChI=1S/C16H20O/c1-3-11(2)16(17)9-12-8-13(10-16)15-7-5-4-6-14(12)15/h3-7,11-13,17H,1,8-10H2,2H3
InChIKeyRLZYKBYXRMXIBI-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.60
Rot. Bonds2

About 10-but-3-en-2-yltricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-ol

10-but-3-en-2-yltricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-ol (PubChem CID 539121) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is 10-but-3-en-2-yltricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-ol.

Molecular Properties

Compound Name10-but-3-en-2-yltricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-ol
PubChem CID539121
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Name10-but-3-en-2-yltricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-ol
SMILESC=CC(C)C1(O)CC2CC(C1)c1ccccc12
InChIInChI=1S/C16H20O/c1-3-11(2)16(17)9-12-8-13(10-16)15-7-5-4-6-14(12)15/h3-7,11-13,17H,1,8-10H2,2H3
InChIKeyRLZYKBYXRMXIBI-UHFFFAOYSA-N
XLogP3.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 10-but-3-en-2-yltricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-ol?
The IUPAC name of 10-but-3-en-2-yltricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-ol (CID 539121) is 10-but-3-en-2-yltricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-ol.
What is the SMILES notation for 10-but-3-en-2-yltricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-ol?
The canonical SMILES for 10-but-3-en-2-yltricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-ol is C=CC(C)C1(O)CC2CC(C1)c1ccccc12.
What is the InChIKey of 10-but-3-en-2-yltricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-ol?
The InChIKey is RLZYKBYXRMXIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O/c1-3-11(2)16(17)9-12-8-13(10-16)15-7-5-4-6-14(12)15/h3-7,11-13,17H,1,8-10H2,2H3.
What are the key properties of 10-but-3-en-2-yltricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-ol?
10-but-3-en-2-yltricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-ol has a molecular weight of 228.34 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-but-3-en-2-yltricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-ol is sourced from PubChem (CID 539121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).