(3S,6S)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalene

C15H26 — CID 24755565

IUPAC(3S,6S)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalene
SMILESCC1(C)C2CCCC(C)(C)[C@]23CC[C@H]1C3
InChIInChI=1S/C15H26/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h11-12H,5-10H2,1-4H3/t11-,12?,15-/m0/s1
InChIKeyHMRWHLXCRJQBMQ-BQELKBSMSA-N
MW206.37 g/mol
LogP4.64
Rot. Bonds

About (3S,6S)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalene

(3S,6S)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalene (PubChem CID 24755565) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is (3S,6S)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalene.

Molecular Properties

Compound Name(3S,6S)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalene
PubChem CID24755565
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name(3S,6S)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalene
SMILESCC1(C)C2CCCC(C)(C)[C@]23CC[C@H]1C3
InChIInChI=1S/C15H26/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h11-12H,5-10H2,1-4H3/t11-,12?,15-/m0/s1
InChIKeyHMRWHLXCRJQBMQ-BQELKBSMSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3'R)-2',2',8',8'-tetramethylspiro[1,3-dioxolane-2,10'-octahydro-1H-2,4a-methanonapthalene]
CID 138643470
2,2,8,8-tetramethyl-10-propylidene-octahydro-1H-2,4a-methanonapthalene
CID 91331842
(5S)-6,10,10-trimethylspiro[4.5]decan-3-ol
CID 130927419
1',1'-dibromo-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-cyclopropane]
CID 72961616
(1R,5S)-1',1'-dibromo-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-cyclopropane]
CID 11438240
7-methyltricyclo[5.4.0.01,10]undecane
CID 123887295
2,6,6-trimethyl-2-(2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)bicyclo[3.1.1]heptane
CID 23528933
2,2-dimethyl-6-propyl-octahydro-1H-2,4a-methanonapthalene
CID 141472764
(2S)-1,2,3,3-tetramethylbicyclo[2.2.1]heptane
CID 148935877
(1S,2S,4S)-2-chloro-2,7,7-trimethylbicyclo[2.2.1]heptane
CID 22215204
(1S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 51004058
(1S,2R)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 91871275

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalene?
The IUPAC name of (3S,6S)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalene (CID 24755565) is (3S,6S)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalene.
What is the SMILES notation for (3S,6S)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalene?
The canonical SMILES for (3S,6S)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalene is CC1(C)C2CCCC(C)(C)[C@]23CC[C@H]1C3.
What is the InChIKey of (3S,6S)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalene?
The InChIKey is HMRWHLXCRJQBMQ-BQELKBSMSA-N. The full InChI is InChI=1S/C15H26/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h11-12H,5-10H2,1-4H3/t11-,12?,15-/m0/s1.
What are the key properties of (3S,6S)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalene?
(3S,6S)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalene has a molecular weight of 206.37 g/mol, XLogP of 4.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalene is sourced from PubChem (CID 24755565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).