(1R)-1-[(1R)-1-methyl-2-methylidenecyclopropyl]heptan-1-ol

C12H22O — CID 11041373

IUPAC(1R)-1-[(1R)-1-methyl-2-methylidenecyclopropyl]heptan-1-ol
SMILESC=C1C[C@@]1(C)[C@H](O)CCCCCC
InChIInChI=1S/C12H22O/c1-4-5-6-7-8-11(13)12(3)9-10(12)2/h11,13H,2,4-9H2,1,3H3/t11-,12-/m1/s1
InChIKeyDLDZDSZURZJKRM-VXGBXAGGSA-N
MW182.31 g/mol
LogP3.28
Rot. Bonds6

About (1R)-1-[(1R)-1-methyl-2-methylidenecyclopropyl]heptan-1-ol

(1R)-1-[(1R)-1-methyl-2-methylidenecyclopropyl]heptan-1-ol (PubChem CID 11041373) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (1R)-1-[(1R)-1-methyl-2-methylidenecyclopropyl]heptan-1-ol.

Molecular Properties

Compound Name(1R)-1-[(1R)-1-methyl-2-methylidenecyclopropyl]heptan-1-ol
PubChem CID11041373
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(1R)-1-[(1R)-1-methyl-2-methylidenecyclopropyl]heptan-1-ol
SMILESC=C1C[C@@]1(C)[C@H](O)CCCCCC
InChIInChI=1S/C12H22O/c1-4-5-6-7-8-11(13)12(3)9-10(12)2/h11,13H,2,4-9H2,1,3H3/t11-,12-/m1/s1
InChIKeyDLDZDSZURZJKRM-VXGBXAGGSA-N
XLogP3.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1-methylcyclopentyl)nonan-1-ol
CID 115784043
1-(1-methylcyclopentyl)heptan-1-ol
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CID 66961510
1-(1-adamantyl)octan-1-ol
CID 63411073
1-[1-(dimethylamino)cycloheptyl]nonan-1-ol
CID 79074118
1-(1-hydroxydodecyl)cyclohexan-1-ol
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(1S)-1-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]hexan-1-ol
CID 101062225
(2S,3R)-3-chloro-1-methoxydecan-2-ol
CID 13436794
1-(1-hydroxytridecyl)cyclohexan-1-ol
CID 103451628
1-chlorohexadecan-1-ol
CID 87967130
1-(1-methoxycyclopentyl)nonan-1-ol
CID 113432696
(3R)-2-(1-hydroxytridecyl)cyclopent-4-ene-1,2,3-triol
CID 11347569

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(1R)-1-methyl-2-methylidenecyclopropyl]heptan-1-ol?
The IUPAC name of (1R)-1-[(1R)-1-methyl-2-methylidenecyclopropyl]heptan-1-ol (CID 11041373) is (1R)-1-[(1R)-1-methyl-2-methylidenecyclopropyl]heptan-1-ol.
What is the SMILES notation for (1R)-1-[(1R)-1-methyl-2-methylidenecyclopropyl]heptan-1-ol?
The canonical SMILES for (1R)-1-[(1R)-1-methyl-2-methylidenecyclopropyl]heptan-1-ol is C=C1C[C@@]1(C)[C@H](O)CCCCCC.
What is the InChIKey of (1R)-1-[(1R)-1-methyl-2-methylidenecyclopropyl]heptan-1-ol?
The InChIKey is DLDZDSZURZJKRM-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H22O/c1-4-5-6-7-8-11(13)12(3)9-10(12)2/h11,13H,2,4-9H2,1,3H3/t11-,12-/m1/s1.
What are the key properties of (1R)-1-[(1R)-1-methyl-2-methylidenecyclopropyl]heptan-1-ol?
(1R)-1-[(1R)-1-methyl-2-methylidenecyclopropyl]heptan-1-ol has a molecular weight of 182.31 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(1R)-1-methyl-2-methylidenecyclopropyl]heptan-1-ol is sourced from PubChem (CID 11041373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).