(2-octylcyclopropyl)methanediol

C12H24O2 — CID 165392128

IUPAC(2-octylcyclopropyl)methanediol
SMILESCCCCCCCCC1CC1C(O)O
InChIInChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-10-9-11(10)12(13)14/h10-14H,2-9H2,1H3
InChIKeyUHVXXGVKAYNUHS-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.68
Rot. Bonds8

About (2-octylcyclopropyl)methanediol

(2-octylcyclopropyl)methanediol (PubChem CID 165392128) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (2-octylcyclopropyl)methanediol.

Molecular Properties

Compound Name(2-octylcyclopropyl)methanediol
PubChem CID165392128
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(2-octylcyclopropyl)methanediol
SMILESCCCCCCCCC1CC1C(O)O
InChIInChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-10-9-11(10)12(13)14/h10-14H,2-9H2,1H3
InChIKeyUHVXXGVKAYNUHS-UHFFFAOYSA-N
XLogP2.68
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[(1R,2R)-2-dodecylcyclopropyl]prop-2-yn-1-ol
CID 138980510
1-nonan-3-yl-2-pentylcyclopropane
CID 20771222
1-hexyl-2-undecylcyclopropane
CID 58049498
1,2-dioctylcyclopropane
CID 21337627
[(1R,2S)-2-butylcyclopropyl]-trimethylsilylmethanol
CID 139829557
1-methyl-2-pentadecylcyclopropane
CID 54385825
1-propyl-2-undecylcyclopropane
CID 123636027
[(1S,2S)-2-octylcyclopropyl]methanol
CID 121360287
2-[(1S,2S)-2-hexylcyclopropyl]ethanol
CID 71388478
5-[(1R,2S)-2-decylcyclopropyl]pentan-1-ol
CID 10923562
1-(4,4-dimethylpentan-2-yl)-2-pentylcyclopropane
CID 91373966
1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane
CID 23590146

Frequently Asked Questions

What is the IUPAC name of (2-octylcyclopropyl)methanediol?
The IUPAC name of (2-octylcyclopropyl)methanediol (CID 165392128) is (2-octylcyclopropyl)methanediol.
What is the SMILES notation for (2-octylcyclopropyl)methanediol?
The canonical SMILES for (2-octylcyclopropyl)methanediol is CCCCCCCCC1CC1C(O)O.
What is the InChIKey of (2-octylcyclopropyl)methanediol?
The InChIKey is UHVXXGVKAYNUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-10-9-11(10)12(13)14/h10-14H,2-9H2,1H3.
What are the key properties of (2-octylcyclopropyl)methanediol?
(2-octylcyclopropyl)methanediol has a molecular weight of 200.32 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-octylcyclopropyl)methanediol is sourced from PubChem (CID 165392128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).