(2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-yl-2,3,7,8-tetrahydro-1H-naphthalene

C15H22 — CID 25200342

IUPAC(2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-yl-2,3,7,8-tetrahydro-1H-naphthalene
SMILESC=C(C)[C@@H]1CC=C2C=CC[C@@H](C)[C@]2(C)C1
InChIInChI=1S/C15H22/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h5,7,9,12-13H,1,6,8,10H2,2-4H3/t12-,13-,15+/m1/s1
InChIKeyRSKODCFDTXJUBN-NFAWXSAZSA-N
MW202.34 g/mol
LogP4.50
Rot. Bonds1

About (2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-yl-2,3,7,8-tetrahydro-1H-naphthalene

(2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-yl-2,3,7,8-tetrahydro-1H-naphthalene (PubChem CID 25200342) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is (2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-yl-2,3,7,8-tetrahydro-1H-naphthalene.

Molecular Properties

Compound Name(2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-yl-2,3,7,8-tetrahydro-1H-naphthalene
PubChem CID25200342
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name(2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-yl-2,3,7,8-tetrahydro-1H-naphthalene
SMILESC=C(C)[C@@H]1CC=C2C=CC[C@@H](C)[C@]2(C)C1
InChIInChI=1S/C15H22/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h5,7,9,12-13H,1,6,8,10H2,2-4H3/t12-,13-,15+/m1/s1
InChIKeyRSKODCFDTXJUBN-NFAWXSAZSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 (2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-yl-2,3,7,8-tetrahydro-1H-naphthalene?
The IUPAC name of (2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-yl-2,3,7,8-tetrahydro-1H-naphthalene (CID 25200342) is (2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-yl-2,3,7,8-tetrahydro-1H-naphthalene.
What is the SMILES notation for (2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-yl-2,3,7,8-tetrahydro-1H-naphthalene?
The canonical SMILES for (2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-yl-2,3,7,8-tetrahydro-1H-naphthalene is C=C(C)[C@@H]1CC=C2C=CC[C@@H](C)[C@]2(C)C1.
What is the InChIKey of (2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-yl-2,3,7,8-tetrahydro-1H-naphthalene?
The InChIKey is RSKODCFDTXJUBN-NFAWXSAZSA-N. The full InChI is InChI=1S/C15H22/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h5,7,9,12-13H,1,6,8,10H2,2-4H3/t12-,13-,15+/m1/s1.
What are the key properties of (2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-yl-2,3,7,8-tetrahydro-1H-naphthalene?
(2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-yl-2,3,7,8-tetrahydro-1H-naphthalene has a molecular weight of 202.34 g/mol, XLogP of 4.50, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-yl-2,3,7,8-tetrahydro-1H-naphthalene is sourced from PubChem (CID 25200342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).