methane;1,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol

C14H26O — CID 174474246

IUPACmethane;1,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol
SMILESC.CC1C2=C(CCCC2(C)C)CCC1O
InChIInChI=1S/C13H22O.CH4/c1-9-11(14)7-6-10-5-4-8-13(2,3)12(9)10;/h9,11,14H,4-8H2,1-3H3;1H4
InChIKeyLOMPXAYXLNNUTF-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.92
Rot. Bonds

About methane;1,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol

methane;1,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol (PubChem CID 174474246) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is methane;1,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Namemethane;1,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol
PubChem CID174474246
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Namemethane;1,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol
SMILESC.CC1C2=C(CCCC2(C)C)CCC1O
InChIInChI=1S/C13H22O.CH4/c1-9-11(14)7-6-10-5-4-8-13(2,3)12(9)10;/h9,11,14H,4-8H2,1-3H3;1H4
InChIKeyLOMPXAYXLNNUTF-UHFFFAOYSA-N
XLogP3.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-1-yl)methanol
CID 3022560
(2R,3R)-2,3,8,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene
CID 143276982
(NE)-N-[(5R,6S)-4,4,5-trimethylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-cyclopentane]-1'-ylidene]hydroxylamine
CID 134971211
4,4,8,8-tetramethyl-1,2,3,5,6,7-hexahydronaphthalene
CID 71441384
acetaldehyde;(2S,3S)-2,3,8,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene
CID 143002875
4,4-dimethyl-6-propan-2-ylidene-1,2,3,5,7,8-hexahydronaphthalene
CID 14890909
[(6R)-6-(2,6,6-trimethylcyclohexen-1-yl)-1,2,3,6-tetrahydropyridin-4-yl]methanol
CID 101371966
[(6S)-6-(2,6,6-trimethylcyclohexen-1-yl)-1,2,3,6-tetrahydropyridin-4-yl]methanol
CID 101124373
6,6-dimethyl-3,4a,5,7,8,9,10,10a-octahydro-2H-benzo[g]phthalazine-1,4-dione
CID 563512
2-(2,3,8,8-tetramethyl-1,3,4,5,6,7-hexahydronaphthalen-2-yl)ethanol
CID 123337911
1-(8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)-1-(4-methoxyphenyl)ethanol
CID 10313566
4,4,7,7-tetramethyl-1,2,3,5,6,8-hexahydronaphthalene
CID 175928717

Frequently Asked Questions

What is the IUPAC name of methane;1,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol?
The IUPAC name of methane;1,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol (CID 174474246) is methane;1,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol.
What is the SMILES notation for methane;1,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol?
The canonical SMILES for methane;1,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol is C.CC1C2=C(CCCC2(C)C)CCC1O.
What is the InChIKey of methane;1,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol?
The InChIKey is LOMPXAYXLNNUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O.CH4/c1-9-11(14)7-6-10-5-4-8-13(2,3)12(9)10;/h9,11,14H,4-8H2,1-3H3;1H4.
What are the key properties of methane;1,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol?
methane;1,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol has a molecular weight of 210.36 g/mol, XLogP of 3.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1,8,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-ol is sourced from PubChem (CID 174474246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).