(2R,6S,9S,10S)-4,10-dibromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-3-en-2-ol

C15H21Br2ClO — CID 23426577

IUPAC(2R,6S,9S,10S)-4,10-dibromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-3-en-2-ol
SMILESC=C1[C@H](O)C=C(Br)C(C)(C)[C@]12CC[C@](C)(Cl)[C@@H](Br)C2
InChIInChI=1S/C15H21Br2ClO/c1-9-10(19)7-11(16)13(2,3)15(9)6-5-14(4,18)12(17)8-15/h7,10,12,19H,1,5-6,8H2,2-4H3/t10-,12+,14+,15+/m1/s1
InChIKeyHFEBOTPUYODHCO-WCUVEOEZSA-N
MW412.59 g/mol
LogP5.15
Rot. Bonds

About (2R,6S,9S,10S)-4,10-dibromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-3-en-2-ol

(2R,6S,9S,10S)-4,10-dibromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-3-en-2-ol (PubChem CID 23426577) has the molecular formula C15H21Br2ClO and a molecular weight of 412.59 g/mol. Its IUPAC name is (2R,6S,9S,10S)-4,10-dibromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-3-en-2-ol.

Molecular Properties

Compound Name(2R,6S,9S,10S)-4,10-dibromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-3-en-2-ol
PubChem CID23426577
Molecular FormulaC15H21Br2ClO
Molecular Weight412.59 g/mol
Exact Mass409.96
IUPAC Name(2R,6S,9S,10S)-4,10-dibromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-3-en-2-ol
SMILESC=C1[C@H](O)C=C(Br)C(C)(C)[C@]12CC[C@](C)(Cl)[C@@H](Br)C2
InChIInChI=1S/C15H21Br2ClO/c1-9-10(19)7-11(16)13(2,3)15(9)6-5-14(4,18)12(17)8-15/h7,10,12,19H,1,5-6,8H2,2-4H3/t10-,12+,14+,15+/m1/s1
InChIKeyHFEBOTPUYODHCO-WCUVEOEZSA-N
XLogP5.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.59
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R,6S,9S,10S)-4,10-dibromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-3-en-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,6S,9S,10S)-4,10-dibromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-3-en-2-ol?
The IUPAC name of (2R,6S,9S,10S)-4,10-dibromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-3-en-2-ol (CID 23426577) is (2R,6S,9S,10S)-4,10-dibromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-3-en-2-ol.
What is the SMILES notation for (2R,6S,9S,10S)-4,10-dibromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-3-en-2-ol?
The canonical SMILES for (2R,6S,9S,10S)-4,10-dibromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-3-en-2-ol is C=C1[C@H](O)C=C(Br)C(C)(C)[C@]12CC[C@](C)(Cl)[C@@H](Br)C2.
What is the InChIKey of (2R,6S,9S,10S)-4,10-dibromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-3-en-2-ol?
The InChIKey is HFEBOTPUYODHCO-WCUVEOEZSA-N. The full InChI is InChI=1S/C15H21Br2ClO/c1-9-10(19)7-11(16)13(2,3)15(9)6-5-14(4,18)12(17)8-15/h7,10,12,19H,1,5-6,8H2,2-4H3/t10-,12+,14+,15+/m1/s1.
What are the key properties of (2R,6S,9S,10S)-4,10-dibromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-3-en-2-ol?
(2R,6S,9S,10S)-4,10-dibromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-3-en-2-ol has a molecular weight of 412.59 g/mol, XLogP of 5.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S,9S,10S)-4,10-dibromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-3-en-2-ol is sourced from PubChem (CID 23426577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).