(1S,11R)-tetracyclo[9.2.1.02,10.04,8]tetradeca-3,8-diene

C14H18 — CID 134983120

IUPAC(1S,11R)-tetracyclo[9.2.1.02,10.04,8]tetradeca-3,8-diene
SMILESC1=C2CCCC2=CC2C1[C@@H]1CC[C@H]2C1
InChIInChI=1S/C14H18/c1-2-9-7-13-11-4-5-12(6-11)14(13)8-10(9)3-1/h7-8,11-14H,1-6H2/t11-,12+,13?,14?
InChIKeyZSVSDVIFNZJUQN-VTXSZYRJSA-N
MW186.30 g/mol
LogP3.70
Rot. Bonds

About (1S,11R)-tetracyclo[9.2.1.02,10.04,8]tetradeca-3,8-diene

(1S,11R)-tetracyclo[9.2.1.02,10.04,8]tetradeca-3,8-diene (PubChem CID 134983120) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is (1S,11R)-tetracyclo[9.2.1.02,10.04,8]tetradeca-3,8-diene.

Molecular Properties

Compound Name(1S,11R)-tetracyclo[9.2.1.02,10.04,8]tetradeca-3,8-diene
PubChem CID134983120
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name(1S,11R)-tetracyclo[9.2.1.02,10.04,8]tetradeca-3,8-diene
SMILESC1=C2CCCC2=CC2C1[C@@H]1CC[C@H]2C1
InChIInChI=1S/C14H18/c1-2-9-7-13-11-4-5-12(6-11)14(13)8-10(9)3-1/h7-8,11-14H,1-6H2/t11-,12+,13?,14?
InChIKeyZSVSDVIFNZJUQN-VTXSZYRJSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1S,11R)-tetracyclo[9.2.1.02,10.04,8]tetradeca-3,8-diene?
The IUPAC name of (1S,11R)-tetracyclo[9.2.1.02,10.04,8]tetradeca-3,8-diene (CID 134983120) is (1S,11R)-tetracyclo[9.2.1.02,10.04,8]tetradeca-3,8-diene.
What is the SMILES notation for (1S,11R)-tetracyclo[9.2.1.02,10.04,8]tetradeca-3,8-diene?
The canonical SMILES for (1S,11R)-tetracyclo[9.2.1.02,10.04,8]tetradeca-3,8-diene is C1=C2CCCC2=CC2C1[C@@H]1CC[C@H]2C1.
What is the InChIKey of (1S,11R)-tetracyclo[9.2.1.02,10.04,8]tetradeca-3,8-diene?
The InChIKey is ZSVSDVIFNZJUQN-VTXSZYRJSA-N. The full InChI is InChI=1S/C14H18/c1-2-9-7-13-11-4-5-12(6-11)14(13)8-10(9)3-1/h7-8,11-14H,1-6H2/t11-,12+,13?,14?.
What are the key properties of (1S,11R)-tetracyclo[9.2.1.02,10.04,8]tetradeca-3,8-diene?
(1S,11R)-tetracyclo[9.2.1.02,10.04,8]tetradeca-3,8-diene has a molecular weight of 186.30 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,11R)-tetracyclo[9.2.1.02,10.04,8]tetradeca-3,8-diene is sourced from PubChem (CID 134983120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).