(2R,3R)-2,3,8,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene

C14H24 — CID 143276982

IUPAC(2R,3R)-2,3,8,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene
SMILESC[C@@H]1CC2=C(C[C@H]1C)C(C)(C)CCC2
InChIInChI=1S/C14H24/c1-10-8-12-6-5-7-14(3,4)13(12)9-11(10)2/h10-11H,5-9H2,1-4H3/t10-,11-/m1/s1
InChIKeyNWTMUOKDOFVHSM-GHMZBOCLSA-N
MW192.35 g/mol
LogP4.56
Rot. Bonds

About (2R,3R)-2,3,8,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene

(2R,3R)-2,3,8,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene (PubChem CID 143276982) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is (2R,3R)-2,3,8,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene.

Molecular Properties

Compound Name(2R,3R)-2,3,8,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene
PubChem CID143276982
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name(2R,3R)-2,3,8,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene
SMILESC[C@@H]1CC2=C(C[C@H]1C)C(C)(C)CCC2
InChIInChI=1S/C14H24/c1-10-8-12-6-5-7-14(3,4)13(12)9-11(10)2/h10-11H,5-9H2,1-4H3/t10-,11-/m1/s1
InChIKeyNWTMUOKDOFVHSM-GHMZBOCLSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2R,3R)-2,3,8,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene with MolForge

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Related Compounds

acetaldehyde;(2S,3S)-2,3,8,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene
CID 143002875
6,6-dimethyl-3,4a,5,7,8,9,10,10a-octahydro-2H-benzo[g]phthalazine-1,4-dione
CID 563512
1-methyl-4-[(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)methyl]piperazine
CID 574983
4,4,8,8-tetramethyl-1,2,3,5,6,7-hexahydronaphthalene
CID 71441384
(2S,4S)-4-(chloromethyl)-2-[(2S,3S)-3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]-1,3-dioxolane
CID 98128536
4-(chloromethyl)-2-(3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)-1,3-dioxolane
CID 3098028
(2R,4R)-4-(chloromethyl)-2-[(2R,3R)-3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]-1,3-dioxolane
CID 7296002
2-(2,3,8,8-tetramethyl-1,3,4,5,6,7-hexahydronaphthalen-2-yl)ethanol
CID 123337911
(2R,3R)-8,8-dimethyl-3-(piperidine-1-carbonyl)-2,3,4,5,6,7-hexahydro-1H-naphthalene-2-carboxylic acid
CID 797255
1-[[(2R,4S)-2-[(2S,3R)-3,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]-1,3-dioxolan-4-yl]methyl]piperidine
CID 7001572
4,4-dimethyl-6-propan-2-ylidene-1,2,3,5,7,8-hexahydronaphthalene
CID 14890909
4,4,7,7-tetramethyl-1,2,3,5,6,8-hexahydronaphthalene
CID 175928717

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3,8,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene?
The IUPAC name of (2R,3R)-2,3,8,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene (CID 143276982) is (2R,3R)-2,3,8,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene.
What is the SMILES notation for (2R,3R)-2,3,8,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene?
The canonical SMILES for (2R,3R)-2,3,8,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene is C[C@@H]1CC2=C(C[C@H]1C)C(C)(C)CCC2.
What is the InChIKey of (2R,3R)-2,3,8,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene?
The InChIKey is NWTMUOKDOFVHSM-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H24/c1-10-8-12-6-5-7-14(3,4)13(12)9-11(10)2/h10-11H,5-9H2,1-4H3/t10-,11-/m1/s1.
What are the key properties of (2R,3R)-2,3,8,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene?
(2R,3R)-2,3,8,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene has a molecular weight of 192.35 g/mol, XLogP of 4.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3,8,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene is sourced from PubChem (CID 143276982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).