(1R,4aS,8aS)-1,6-dimethyl-4-prop-1-en-2-yl-4a,7,8,8a-tetrahydro-1H-naphthalen-2-one

C15H20O — CID 162927835

IUPAC(1R,4aS,8aS)-1,6-dimethyl-4-prop-1-en-2-yl-4a,7,8,8a-tetrahydro-1H-naphthalen-2-one
SMILESC=C(C)C1=CC(=O)[C@H](C)[C@H]2CCC(C)=C[C@@H]12
InChIInChI=1S/C15H20O/c1-9(2)13-8-15(16)11(4)12-6-5-10(3)7-14(12)13/h7-8,11-12,14H,1,5-6H2,2-4H3/t11-,12-,14-/m1/s1
InChIKeyIOWYPXJMCFZBEY-YRGRVCCFSA-N
MW216.32 g/mol
LogP3.68
Rot. Bonds1

About (1R,4aS,8aS)-1,6-dimethyl-4-prop-1-en-2-yl-4a,7,8,8a-tetrahydro-1H-naphthalen-2-one

(1R,4aS,8aS)-1,6-dimethyl-4-prop-1-en-2-yl-4a,7,8,8a-tetrahydro-1H-naphthalen-2-one (PubChem CID 162927835) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is (1R,4aS,8aS)-1,6-dimethyl-4-prop-1-en-2-yl-4a,7,8,8a-tetrahydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name(1R,4aS,8aS)-1,6-dimethyl-4-prop-1-en-2-yl-4a,7,8,8a-tetrahydro-1H-naphthalen-2-one
PubChem CID162927835
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name(1R,4aS,8aS)-1,6-dimethyl-4-prop-1-en-2-yl-4a,7,8,8a-tetrahydro-1H-naphthalen-2-one
SMILESC=C(C)C1=CC(=O)[C@H](C)[C@H]2CCC(C)=C[C@@H]12
InChIInChI=1S/C15H20O/c1-9(2)13-8-15(16)11(4)12-6-5-10(3)7-14(12)13/h7-8,11-12,14H,1,5-6H2,2-4H3/t11-,12-,14-/m1/s1
InChIKeyIOWYPXJMCFZBEY-YRGRVCCFSA-N
XLogP3.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Nerone
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(+)-Piperitone
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Dehydrofukinone
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Carvotanacetone
CID 6432475
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CID 175661

Frequently Asked Questions

What is the IUPAC name of (1R,4aS,8aS)-1,6-dimethyl-4-prop-1-en-2-yl-4a,7,8,8a-tetrahydro-1H-naphthalen-2-one?
The IUPAC name of (1R,4aS,8aS)-1,6-dimethyl-4-prop-1-en-2-yl-4a,7,8,8a-tetrahydro-1H-naphthalen-2-one (CID 162927835) is (1R,4aS,8aS)-1,6-dimethyl-4-prop-1-en-2-yl-4a,7,8,8a-tetrahydro-1H-naphthalen-2-one.
What is the SMILES notation for (1R,4aS,8aS)-1,6-dimethyl-4-prop-1-en-2-yl-4a,7,8,8a-tetrahydro-1H-naphthalen-2-one?
The canonical SMILES for (1R,4aS,8aS)-1,6-dimethyl-4-prop-1-en-2-yl-4a,7,8,8a-tetrahydro-1H-naphthalen-2-one is C=C(C)C1=CC(=O)[C@H](C)[C@H]2CCC(C)=C[C@@H]12.
What is the InChIKey of (1R,4aS,8aS)-1,6-dimethyl-4-prop-1-en-2-yl-4a,7,8,8a-tetrahydro-1H-naphthalen-2-one?
The InChIKey is IOWYPXJMCFZBEY-YRGRVCCFSA-N. The full InChI is InChI=1S/C15H20O/c1-9(2)13-8-15(16)11(4)12-6-5-10(3)7-14(12)13/h7-8,11-12,14H,1,5-6H2,2-4H3/t11-,12-,14-/m1/s1.
What are the key properties of (1R,4aS,8aS)-1,6-dimethyl-4-prop-1-en-2-yl-4a,7,8,8a-tetrahydro-1H-naphthalen-2-one?
(1R,4aS,8aS)-1,6-dimethyl-4-prop-1-en-2-yl-4a,7,8,8a-tetrahydro-1H-naphthalen-2-one has a molecular weight of 216.32 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4aS,8aS)-1,6-dimethyl-4-prop-1-en-2-yl-4a,7,8,8a-tetrahydro-1H-naphthalen-2-one is sourced from PubChem (CID 162927835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).