(4S,4aS,5R)-4,4a-dimethyl-5-prop-1-en-2-yl-2,3,4,5-tetrahydro-1H-naphthalene

C15H22 — CID 15385764

IUPAC(4S,4aS,5R)-4,4a-dimethyl-5-prop-1-en-2-yl-2,3,4,5-tetrahydro-1H-naphthalene
SMILESC=C(C)[C@H]1C=CC=C2CCC[C@H](C)[C@]21C
InChIInChI=1S/C15H22/c1-11(2)14-10-6-9-13-8-5-7-12(3)15(13,14)4/h6,9-10,12,14H,1,5,7-8H2,2-4H3/t12-,14+,15+/m0/s1
InChIKeyNDOOUZVSWOMXFH-NWANDNLSSA-N
MW202.34 g/mol
LogP4.50
Rot. Bonds1

About (4S,4aS,5R)-4,4a-dimethyl-5-prop-1-en-2-yl-2,3,4,5-tetrahydro-1H-naphthalene

(4S,4aS,5R)-4,4a-dimethyl-5-prop-1-en-2-yl-2,3,4,5-tetrahydro-1H-naphthalene (PubChem CID 15385764) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is (4S,4aS,5R)-4,4a-dimethyl-5-prop-1-en-2-yl-2,3,4,5-tetrahydro-1H-naphthalene.

Molecular Properties

Compound Name(4S,4aS,5R)-4,4a-dimethyl-5-prop-1-en-2-yl-2,3,4,5-tetrahydro-1H-naphthalene
PubChem CID15385764
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name(4S,4aS,5R)-4,4a-dimethyl-5-prop-1-en-2-yl-2,3,4,5-tetrahydro-1H-naphthalene
SMILESC=C(C)[C@H]1C=CC=C2CCC[C@H](C)[C@]21C
InChIInChI=1S/C15H22/c1-11(2)14-10-6-9-13-8-5-7-12(3)15(13,14)4/h6,9-10,12,14H,1,5,7-8H2,2-4H3/t12-,14+,15+/m0/s1
InChIKeyNDOOUZVSWOMXFH-NWANDNLSSA-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 (4S,4aS,5R)-4,4a-dimethyl-5-prop-1-en-2-yl-2,3,4,5-tetrahydro-1H-naphthalene?
The IUPAC name of (4S,4aS,5R)-4,4a-dimethyl-5-prop-1-en-2-yl-2,3,4,5-tetrahydro-1H-naphthalene (CID 15385764) is (4S,4aS,5R)-4,4a-dimethyl-5-prop-1-en-2-yl-2,3,4,5-tetrahydro-1H-naphthalene.
What is the SMILES notation for (4S,4aS,5R)-4,4a-dimethyl-5-prop-1-en-2-yl-2,3,4,5-tetrahydro-1H-naphthalene?
The canonical SMILES for (4S,4aS,5R)-4,4a-dimethyl-5-prop-1-en-2-yl-2,3,4,5-tetrahydro-1H-naphthalene is C=C(C)[C@H]1C=CC=C2CCC[C@H](C)[C@]21C.
What is the InChIKey of (4S,4aS,5R)-4,4a-dimethyl-5-prop-1-en-2-yl-2,3,4,5-tetrahydro-1H-naphthalene?
The InChIKey is NDOOUZVSWOMXFH-NWANDNLSSA-N. The full InChI is InChI=1S/C15H22/c1-11(2)14-10-6-9-13-8-5-7-12(3)15(13,14)4/h6,9-10,12,14H,1,5,7-8H2,2-4H3/t12-,14+,15+/m0/s1.
What are the key properties of (4S,4aS,5R)-4,4a-dimethyl-5-prop-1-en-2-yl-2,3,4,5-tetrahydro-1H-naphthalene?
(4S,4aS,5R)-4,4a-dimethyl-5-prop-1-en-2-yl-2,3,4,5-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 (4S,4aS,5R)-4,4a-dimethyl-5-prop-1-en-2-yl-2,3,4,5-tetrahydro-1H-naphthalene is sourced from PubChem (CID 15385764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).