(1S,2R,5R)-1-ethyl-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol

C12H22O — CID 10397451

IUPAC(1S,2R,5R)-1-ethyl-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)[C@@H]1CC[C@@H](C)[C@](O)(CC)C1
InChIInChI=1S/C12H22O/c1-5-12(13)8-11(9(2)3)7-6-10(12)4/h10-11,13H,2,5-8H2,1,3-4H3/t10-,11-,12+/m1/s1
InChIKeyUZAHIHZMVJEMHC-UTUOFQBUSA-N
MW182.31 g/mol
LogP3.14
Rot. Bonds2

About (1S,2R,5R)-1-ethyl-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol

(1S,2R,5R)-1-ethyl-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol (PubChem CID 10397451) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (1S,2R,5R)-1-ethyl-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2R,5R)-1-ethyl-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol
PubChem CID10397451
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(1S,2R,5R)-1-ethyl-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)[C@@H]1CC[C@@H](C)[C@](O)(CC)C1
InChIInChI=1S/C12H22O/c1-5-12(13)8-11(9(2)3)7-6-10(12)4/h10-11,13H,2,5-8H2,1,3-4H3/t10-,11-,12+/m1/s1
InChIKeyUZAHIHZMVJEMHC-UTUOFQBUSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.14
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

6-methyl-9-prop-1-en-2-yl-1,4-dithiaspiro[4.5]decane
CID 134986380
(1S,4R,4aR,6R,8aS)-4,8a-dimethyl-6-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydronaphthalene-1,4a-diol
CID 162963435
(4R,5S,6R,9R)-2,4,6-trimethyl-9-prop-1-en-2-yl-1-oxa-3-azaspiro[4.5]dec-2-ene
CID 10262949
cis-(1R,3R)-1-methyl-3-prop-1-en-2-ylcyclohexan-1-ol
CID 162915511
(1-acetyloxy-2-ethyl-2-methyl-5-prop-1-en-2-ylcyclohexyl) acetate
CID 91573229
(2S,4S,5R)-4-ethyl-1,2,5-trimethylpiperidin-4-ol
CID 6983586
(6R,8R,11R)-2,2,11-trimethyl-8-prop-1-en-2-yl-1-azaspiro[5.5]undecan-4-one
CID 11747033
3-prop-1-en-2-yltricyclo[4.1.1.01,6]octane
CID 163960686
8a-hydroxy-3,8-dimethyl-5-prop-1-en-2-yl-2,3,3a,4,5,6,7,8-octahydroazulen-1-one
CID 10376840
(1S,3R,5R,8S,10R,12R)-5,12-bis(prop-1-en-2-yl)-2,9-dioxatetracyclo[6.6.2.01,10.03,8]hexadecane-3,10-diol
CID 139091680
(3R,5S,6R,8S)-8-hydroxy-6-methyl-3-prop-1-en-2-ylspiro[4.5]decan-10-one
CID 10036509
7,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-6-en-8-ol
CID 162899953

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5R)-1-ethyl-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol?
The IUPAC name of (1S,2R,5R)-1-ethyl-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol (CID 10397451) is (1S,2R,5R)-1-ethyl-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol.
What is the SMILES notation for (1S,2R,5R)-1-ethyl-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol?
The canonical SMILES for (1S,2R,5R)-1-ethyl-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol is C=C(C)[C@@H]1CC[C@@H](C)[C@](O)(CC)C1.
What is the InChIKey of (1S,2R,5R)-1-ethyl-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol?
The InChIKey is UZAHIHZMVJEMHC-UTUOFQBUSA-N. The full InChI is InChI=1S/C12H22O/c1-5-12(13)8-11(9(2)3)7-6-10(12)4/h10-11,13H,2,5-8H2,1,3-4H3/t10-,11-,12+/m1/s1.
What are the key properties of (1S,2R,5R)-1-ethyl-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol?
(1S,2R,5R)-1-ethyl-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol has a molecular weight of 182.31 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5R)-1-ethyl-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol is sourced from PubChem (CID 10397451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).