(1R,3R,6S,7R)-4,7-dimethyl-1-propan-2-yltricyclo[4.3.0.03,7]non-4-ene

C14H22 — CID 15975315

IUPAC(1R,3R,6S,7R)-4,7-dimethyl-1-propan-2-yltricyclo[4.3.0.03,7]non-4-ene
SMILESCC1=C[C@@H]2[C@]3(C(C)C)CC[C@]2(C)[C@@H]1C3
InChIInChI=1S/C14H22/c1-9(2)14-6-5-13(4)11(8-14)10(3)7-12(13)14/h7,9,11-12H,5-6,8H2,1-4H3/t11-,12+,13-,14-/m1/s1
InChIKeyDFZGCIMOIGBIII-XJFOESAGSA-N
MW190.33 g/mol
LogP4.02
Rot. Bonds1

About (1R,3R,6S,7R)-4,7-dimethyl-1-propan-2-yltricyclo[4.3.0.03,7]non-4-ene

(1R,3R,6S,7R)-4,7-dimethyl-1-propan-2-yltricyclo[4.3.0.03,7]non-4-ene (PubChem CID 15975315) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is (1R,3R,6S,7R)-4,7-dimethyl-1-propan-2-yltricyclo[4.3.0.03,7]non-4-ene.

Molecular Properties

Compound Name(1R,3R,6S,7R)-4,7-dimethyl-1-propan-2-yltricyclo[4.3.0.03,7]non-4-ene
PubChem CID15975315
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name(1R,3R,6S,7R)-4,7-dimethyl-1-propan-2-yltricyclo[4.3.0.03,7]non-4-ene
SMILESCC1=C[C@@H]2[C@]3(C(C)C)CC[C@]2(C)[C@@H]1C3
InChIInChI=1S/C14H22/c1-9(2)14-6-5-13(4)11(8-14)10(3)7-12(13)14/h7,9,11-12H,5-6,8H2,1-4H3/t11-,12+,13-,14-/m1/s1
InChIKeyDFZGCIMOIGBIII-XJFOESAGSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1R,3R,6S,7R)-4,7-dimethyl-1-propan-2-yltricyclo[4.3.0.03,7]non-4-ene with MolForge

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Related Compounds

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alpha-Santalene
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Npc63450
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Frequently Asked Questions

What is the IUPAC name of (1R,3R,6S,7R)-4,7-dimethyl-1-propan-2-yltricyclo[4.3.0.03,7]non-4-ene?
The IUPAC name of (1R,3R,6S,7R)-4,7-dimethyl-1-propan-2-yltricyclo[4.3.0.03,7]non-4-ene (CID 15975315) is (1R,3R,6S,7R)-4,7-dimethyl-1-propan-2-yltricyclo[4.3.0.03,7]non-4-ene.
What is the SMILES notation for (1R,3R,6S,7R)-4,7-dimethyl-1-propan-2-yltricyclo[4.3.0.03,7]non-4-ene?
The canonical SMILES for (1R,3R,6S,7R)-4,7-dimethyl-1-propan-2-yltricyclo[4.3.0.03,7]non-4-ene is CC1=C[C@@H]2[C@]3(C(C)C)CC[C@]2(C)[C@@H]1C3.
What is the InChIKey of (1R,3R,6S,7R)-4,7-dimethyl-1-propan-2-yltricyclo[4.3.0.03,7]non-4-ene?
The InChIKey is DFZGCIMOIGBIII-XJFOESAGSA-N. The full InChI is InChI=1S/C14H22/c1-9(2)14-6-5-13(4)11(8-14)10(3)7-12(13)14/h7,9,11-12H,5-6,8H2,1-4H3/t11-,12+,13-,14-/m1/s1.
What are the key properties of (1R,3R,6S,7R)-4,7-dimethyl-1-propan-2-yltricyclo[4.3.0.03,7]non-4-ene?
(1R,3R,6S,7R)-4,7-dimethyl-1-propan-2-yltricyclo[4.3.0.03,7]non-4-ene has a molecular weight of 190.33 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,6S,7R)-4,7-dimethyl-1-propan-2-yltricyclo[4.3.0.03,7]non-4-ene is sourced from PubChem (CID 15975315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).