(3R,6S,9S)-2,2,8,8,9-pentamethylspiro[octahydro-1H-2,4a-methanonapthalene-10,2'-oxolane]

C19H32O — CID 135195190

IUPAC(3R,6S,9S)-2,2,8,8,9-pentamethylspiro[octahydro-1H-2,4a-methanonapthalene-10,2'-oxolane]
SMILESCC1(C)CCC2(CCCO2)[C@@]2(C)C(C)(C)[C@H]3CC[C@@]12C3
InChIInChI=1S/C19H32O/c1-15(2)10-11-19(8-6-12-20-19)17(5)16(3,4)14-7-9-18(15,17)13-14/h14H,6-13H2,1-5H3/t14-,17-,18+,19?/m0/s1
InChIKeyYZSMZNNDPYLQRC-DYJHLDHHSA-N
MW276.46 g/mol
LogP5.19
Rot. Bonds

About (3R,6S,9S)-2,2,8,8,9-pentamethylspiro[octahydro-1H-2,4a-methanonapthalene-10,2'-oxolane]

(3R,6S,9S)-2,2,8,8,9-pentamethylspiro[octahydro-1H-2,4a-methanonapthalene-10,2'-oxolane] (PubChem CID 135195190) has the molecular formula C19H32O and a molecular weight of 276.46 g/mol. Its IUPAC name is (3R,6S,9S)-2,2,8,8,9-pentamethylspiro[octahydro-1H-2,4a-methanonapthalene-10,2'-oxolane].

Molecular Properties

Compound Name(3R,6S,9S)-2,2,8,8,9-pentamethylspiro[octahydro-1H-2,4a-methanonapthalene-10,2'-oxolane]
PubChem CID135195190
Molecular FormulaC19H32O
Molecular Weight276.46 g/mol
Exact Mass276.25
IUPAC Name(3R,6S,9S)-2,2,8,8,9-pentamethylspiro[octahydro-1H-2,4a-methanonapthalene-10,2'-oxolane]
SMILESCC1(C)CCC2(CCCO2)[C@@]2(C)C(C)(C)[C@H]3CC[C@@]12C3
InChIInChI=1S/C19H32O/c1-15(2)10-11-19(8-6-12-20-19)17(5)16(3,4)14-7-9-18(15,17)13-14/h14H,6-13H2,1-5H3/t14-,17-,18+,19?/m0/s1
InChIKeyYZSMZNNDPYLQRC-DYJHLDHHSA-N
XLogP5.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.46
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3R,6S,9S)-2,2,8,8,9-pentamethylspiro[octahydro-1H-2,4a-methanonapthalene-10,2'-oxolane] with MolForge

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Related Compounds

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9-chloro-4,4-dimethyl-6-oxaspiro[4.5]decane
CID 79863526
1,3,3-trimethyl-2-(6-oxaspiro[4.5]decan-9-yl)bicyclo[2.2.1]heptan-2-ol
CID 115401216
1-methyl-2-oxabicyclo[2.2.0]hexane
CID 119098021
1-cyclopentyl-2,2-dimethylcyclobutan-1-ol
CID 130554936
1-cyclobutyl-2,2-dimethylcyclobutan-1-ol
CID 130554912
8a-methyl-2,3,4,4a,5,6,7,8-octahydrochromene
CID 58800826
2-N,2-N,2-N',2-N'-tetramethyloxolane-2,2-diamine
CID 174918997
spiro[bicyclo[2.2.1]heptane-2,2'-oxolane]
CID 165155234
2-cyclopentyl-2-methyl-1,3-dioxane
CID 45098524
1,7,7-trimethylbicyclo[2.2.1]heptane;hydrate
CID 141349700

Frequently Asked Questions

What is the IUPAC name of (3R,6S,9S)-2,2,8,8,9-pentamethylspiro[octahydro-1H-2,4a-methanonapthalene-10,2'-oxolane]?
The IUPAC name of (3R,6S,9S)-2,2,8,8,9-pentamethylspiro[octahydro-1H-2,4a-methanonapthalene-10,2'-oxolane] (CID 135195190) is (3R,6S,9S)-2,2,8,8,9-pentamethylspiro[octahydro-1H-2,4a-methanonapthalene-10,2'-oxolane].
What is the SMILES notation for (3R,6S,9S)-2,2,8,8,9-pentamethylspiro[octahydro-1H-2,4a-methanonapthalene-10,2'-oxolane]?
The canonical SMILES for (3R,6S,9S)-2,2,8,8,9-pentamethylspiro[octahydro-1H-2,4a-methanonapthalene-10,2'-oxolane] is CC1(C)CCC2(CCCO2)[C@@]2(C)C(C)(C)[C@H]3CC[C@@]12C3.
What is the InChIKey of (3R,6S,9S)-2,2,8,8,9-pentamethylspiro[octahydro-1H-2,4a-methanonapthalene-10,2'-oxolane]?
The InChIKey is YZSMZNNDPYLQRC-DYJHLDHHSA-N. The full InChI is InChI=1S/C19H32O/c1-15(2)10-11-19(8-6-12-20-19)17(5)16(3,4)14-7-9-18(15,17)13-14/h14H,6-13H2,1-5H3/t14-,17-,18+,19?/m0/s1.
What are the key properties of (3R,6S,9S)-2,2,8,8,9-pentamethylspiro[octahydro-1H-2,4a-methanonapthalene-10,2'-oxolane]?
(3R,6S,9S)-2,2,8,8,9-pentamethylspiro[octahydro-1H-2,4a-methanonapthalene-10,2'-oxolane] has a molecular weight of 276.46 g/mol, XLogP of 5.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S,9S)-2,2,8,8,9-pentamethylspiro[octahydro-1H-2,4a-methanonapthalene-10,2'-oxolane] is sourced from PubChem (CID 135195190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).